Mrv0541 02241208332D 89 99 0 0 0 0 999 V2000 -0.8910 2.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8910 1.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1774 0.7968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5377 1.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5377 2.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1774 2.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2527 0.7968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9664 1.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9664 2.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2527 2.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6814 2.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6814 3.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9664 3.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2527 3.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4651 2.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9505 2.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4651 3.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7357 3.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7357 3.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9505 4.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 0.7968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5377 2.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7665 4.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6961 4.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5552 3.8521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8907 3.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7115 3.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1970 3.6803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0471 2.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8680 2.1732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9061 4.7460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2034 1.4183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7181 0.7515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0536 -0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8745 -0.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3599 0.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0243 1.3330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5696 -0.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9051 -1.4238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2100 -0.8421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1794 0.4929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5085 1.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3210 1.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3210 2.0343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0347 2.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7497 2.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7497 1.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0347 0.7968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4633 2.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4633 0.7968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0347 -0.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0347 -2.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3210 -2.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3210 -3.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0347 -4.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7497 -3.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7497 -2.9158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0347 -4.9783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 -4.1533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 -2.5032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7497 -0.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7497 -1.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4633 -1.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1783 -1.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1783 -0.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4633 -0.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8934 -1.6782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4633 -2.5032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0347 -1.6782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6070 -1.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6070 -0.4407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3220 -0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0357 -0.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0357 -1.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3220 -1.6782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3220 -2.5032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7507 -1.6782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7507 -0.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3220 0.7968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0357 -2.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7507 -2.5032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4657 -2.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4657 -3.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7507 -4.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0357 -3.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3220 -4.1533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7507 -4.9783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1794 -4.1533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1794 -2.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 7 2 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 22 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 19 31 1 0 0 0 0 20 24 1 0 0 0 0 21 43 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 37 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 38 1 0 0 0 0 35 36 1 0 0 0 0 35 40 1 0 0 0 0 36 37 1 0 0 0 0 36 41 1 0 0 0 0 37 42 1 0 0 0 0 38 39 1 0 0 0 0 43 44 1 0 0 0 0 43 48 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 46 49 1 0 0 0 0 47 48 1 0 0 0 0 47 50 1 0 0 0 0 48 51 1 0 0 0 0 51 61 1 0 0 0 0 52 53 1 0 0 0 0 52 57 1 0 0 0 0 52 69 1 0 0 0 0 53 54 1 0 0 0 0 53 60 1 0 0 0 0 54 55 1 0 0 0 0 54 59 1 0 0 0 0 55 56 1 0 0 0 0 55 58 1 0 0 0 0 56 57 1 0 0 0 0 61 62 1 0 0 0 0 61 66 1 0 0 0 0 62 63 1 0 0 0 0 62 69 1 0 0 0 0 63 64 1 0 0 0 0 63 68 1 0 0 0 0 64 65 1 0 0 0 0 64 67 1 0 0 0 0 65 66 1 0 0 0 0 67 70 1 0 0 0 0 70 71 1 0 0 0 0 70 75 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 72 79 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 74 75 1 0 0 0 0 74 77 1 0 0 0 0 75 76 1 0 0 0 0 76 80 1 0 0 0 0 80 81 1 0 0 0 0 80 85 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 82 89 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 84 85 1 0 0 0 0 84 87 1 0 0 0 0 85 86 1 0 0 0 0 M END > CHEM027139 > chemdb > CC(CCC1(O)OC2CC3C4CC=C5CC(CCC5(C)C4CCC3(C)C2C1C)OC1OCC(O)C(O)C1OC1OCC(OC2OC(C)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C1OC1OCC(O)C(O)C1O)COC1OC(CO)C(O)C(O)C1O > InChI=1S/C60H98O29/c1-22(18-77-52-47(74)44(71)41(68)34(17-61)84-52)9-14-60(76)23(2)36-33(89-60)16-30-28-8-7-26-15-27(10-12-58(26,5)29(28)11-13-59(30,36)6)83-55-49(40(67)32(63)20-79-55)88-56-50(86-53-46(73)39(66)31(62)19-78-53)42(69)35(21-80-56)85-57-51(45(72)38(65)25(4)82-57)87-54-48(75)43(70)37(64)24(3)81-54/h7,22-25,27-57,61-76H,8-21H2,1-6H3 > HPAZMTUJBDFPDN-UHFFFAOYSA-N > C60H98O29 > 1283.4027 > 1282.619377174 > 29 > 133.78032081582086 > 0 > 16 > 0 > 0 > 2-{[2-({6-[(4,5-dihydroxy-2-{[6-hydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-16-yl]oxy}oxan-3-yl)oxy]-4-hydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl}oxy)-4,5-dihydroxy-6-methyloxan-3-yl]oxy}-6-methyloxane-3,4,5-triol > -0.60 > -2.874587233000001 > -2.81 > 1 > 11 > 0 > 11.94837137719524 > 11.50540180668454 > -3.6786119366911016 > 443.6700000000002 > 297.2809 > 17 > 0 > 2.01e+00 g/l > 2-{[2-({6-[(4,5-dihydroxy-2-{[6-hydroxy-7,9,13-trimethyl-6-(3-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl)-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-en-16-yl]oxy}oxan-3-yl)oxy]-4-hydroxy-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl}oxy)-4,5-dihydroxy-6-methyloxan-3-yl]oxy}-6-methyloxane-3,4,5-triol > 0 > Balanitesin > 212369-13-6 $$$$