Mrv0541 02241215592D 73 82 0 0 0 0 999 V2000 0.8291 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8291 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1155 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5994 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5994 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1155 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8291 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5442 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2592 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2592 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5442 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5442 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2592 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9728 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0595 1.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9728 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7580 -0.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2433 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0271 0.8731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0271 1.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7807 1.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4490 1.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3623 2.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0292 3.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7580 1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2433 1.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9876 2.7377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6088 3.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9405 2.5191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0281 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0281 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7431 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7431 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4569 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4569 2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7431 2.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7431 3.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0281 3.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7431 -3.9189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0281 -3.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -3.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -4.7439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8869 2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1719 2.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1719 3.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4569 3.9189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4569 4.7439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1155 -3.9189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5994 -3.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5994 -2.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1155 -2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8291 -2.6813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8869 3.9189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1719 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4569 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7431 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7431 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0281 -2.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4569 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1719 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8869 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8869 -1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6005 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3156 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0292 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0292 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3156 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6005 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6005 1.0312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 3.5063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6005 -2.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 11 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 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 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 25 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 26 1 0 0 0 0 20 29 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 28 29 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 57 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 61 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 45 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 47 1 0 0 0 0 39 72 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 59 1 0 0 0 0 42 43 1 0 0 0 0 42 50 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 54 1 0 0 0 0 47 48 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 60 1 0 0 0 0 52 53 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 63 70 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 65 73 1 0 0 0 0 66 67 1 0 0 0 0 66 69 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 M END > CHEM027989 > chemdb > CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)OC11CCC(C)CO1 > InChI=1S/C51H84O22/c1-20-8-13-51(65-18-20)21(2)32-28(73-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)67-48-44(72-47-41(62)38(59)35(56)30(17-53)69-47)42(63)43(71-46-40(61)36(57)33(54)22(3)66-46)31(70-48)19-64-45-39(60)37(58)34(55)29(16-52)68-45/h20-48,52-63H,6-19H2,1-5H3 > DLUTTXMPJCVUFR-UHFFFAOYSA-N > C51H84O22 > 1049.1995 > 1048.545424372 > 22 > 113.52928189102269 > 0 > 12 > 0 > 0 > 2-[(4-hydroxy-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]oxy}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol > -0.21 > -0.7035476806666647 > -2.99 > 1 > 10 > 0 > 12.186864799739563 > 11.751090083262346 > -3.6483775957536624 > 335.06 > 247.52540000000008 > 11 > 0 > 1.07e+00 g/l > 2-[(4-hydroxy-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]oxy}-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl)methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > Parillin > 19057-61-5 $$$$