Mrv0541 05061307422D 77 86 0 0 0 0 999 V2000 2.5224 -0.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4270 0.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9831 -1.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2004 -0.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6545 -0.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4876 -2.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6640 -2.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6277 -1.7905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8476 -0.4631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3768 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0240 -0.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5532 -0.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -1.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7645 -1.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8834 -2.2778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7964 1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9275 5.7406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2075 1.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8594 -0.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2425 -0.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3365 -1.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5514 -0.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1595 -1.4880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9409 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2179 -1.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2937 -1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7470 -1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4701 -1.6978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1505 -1.8990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4261 1.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2978 5.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5778 0.8676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8723 0.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2843 -1.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8794 2.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1214 4.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3256 1.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5091 3.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4916 4.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7717 0.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6855 3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0383 3.5289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3184 -0.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4014 0.8196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9553 2.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1317 2.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4948 -0.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2322 2.7437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2147 3.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6784 1.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5707 -1.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0998 -0.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9646 -1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6200 1.1733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1039 5.7885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3839 1.6528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7062 -2.1772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7030 2.5999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5747 5.6447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1492 1.3172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9625 4.0743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3153 4.1702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5953 0.0345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8193 4.2471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7712 3.1501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6887 -1.3441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7892 -0.7507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6734 -0.5142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0415 -1.2482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6025 2.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8444 4.3140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1245 0.1783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0486 0.7238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8548 1.5089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4086 2.7916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7614 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3349 -2.0234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 6 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 8 1 0 0 0 0 21 1 1 0 0 0 0 21 8 1 0 0 0 0 21 19 1 0 0 0 0 22 2 1 0 0 0 0 23 3 1 0 0 0 0 24 6 1 0 0 0 0 24 14 1 0 0 0 0 25 9 1 0 0 0 0 25 14 1 0 0 0 0 26 7 1 0 0 0 0 27 10 1 0 0 0 0 27 26 1 0 0 0 0 28 15 1 0 0 0 0 28 26 1 0 0 0 0 29 15 1 0 0 0 0 30 16 1 0 0 0 0 31 17 1 0 0 0 0 32 18 1 0 0 0 0 33 20 1 0 0 0 0 34 22 1 0 0 0 0 34 29 1 0 0 0 0 35 30 1 0 0 0 0 36 31 1 0 0 0 0 37 33 1 0 0 0 0 38 35 1 0 0 0 0 39 36 1 0 0 0 0 41 38 1 0 0 0 0 42 39 1 0 0 0 0 43 40 1 0 0 0 0 44 32 1 0 0 0 0 44 40 1 0 0 0 0 45 37 1 0 0 0 0 46 45 1 0 0 0 0 47 43 1 0 0 0 0 48 41 1 0 0 0 0 49 42 1 0 0 0 0 50 46 1 0 0 0 0 51 4 1 0 0 0 0 51 11 1 0 0 0 0 51 24 1 0 0 0 0 51 27 1 0 0 0 0 52 5 1 0 0 0 0 52 12 1 0 0 0 0 52 28 1 0 0 0 0 52 34 1 0 0 0 0 53 13 1 0 0 0 0 53 22 1 0 0 0 0 54 16 1 0 0 0 0 55 17 1 0 0 0 0 56 18 1 0 0 0 0 57 23 2 0 0 0 0 58 35 1 0 0 0 0 59 36 1 0 0 0 0 60 37 1 0 0 0 0 61 38 1 0 0 0 0 62 39 1 0 0 0 0 63 40 1 0 0 0 0 64 41 1 0 0 0 0 65 42 1 0 0 0 0 66 43 1 0 0 0 0 67 20 1 0 0 0 0 67 23 1 0 0 0 0 68 19 1 0 0 0 0 68 53 1 0 0 0 0 69 25 1 0 0 0 0 69 47 1 0 0 0 0 70 30 1 0 0 0 0 70 48 1 0 0 0 0 71 31 1 0 0 0 0 71 49 1 0 0 0 0 72 32 1 0 0 0 0 72 47 1 0 0 0 0 73 33 1 0 0 0 0 73 50 1 0 0 0 0 74 44 1 0 0 0 0 74 50 1 0 0 0 0 75 45 1 0 0 0 0 75 48 1 0 0 0 0 76 46 1 0 0 0 0 76 49 1 0 0 0 0 77 29 1 0 0 0 0 77 53 1 0 0 0 0 M END > CHEM028365 > chemdb > CC1C2C(CC3C4CCC5CC(CCC5(C)C4CCC23C)OC2OC(CO)C(OC3OC(COC(C)=O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1 > InChI=1S/C53H86O24/c1-21-8-13-53(68-19-21)22(2)34-29(77-53)15-28-26-7-6-24-14-25(9-11-51(24,4)27(26)10-12-52(28,34)5)69-47-43(66)40(63)44(32(18-56)72-47)74-50-46(76-49-42(65)39(62)36(59)31(17-55)71-49)45(37(60)33(73-50)20-67-23(3)57)75-48-41(64)38(61)35(58)30(16-54)70-48/h21-22,24-50,54-56,58-66H,6-20H2,1-5H3 > UMJXUWDTBAXFNN-UHFFFAOYSA-N > C53H86O24 > 1107.2355 > 1106.55090368 > 23 > 117.07022344788638 > 0 > 12 > 0 > 0 > (6-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]oxy}oxan-3-yl]oxy}-3-hydroxy-4,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl)methyl acetate > -0.24 > -1.3093322369999965 > -2.97 > 1 > 10 > 0 > 12.19272490044924 > 11.754240989356331 > -3.648377595760352 > 361.3600000000001 > 258.22060000000005 > 14 > 0 > 1.19e+00 g/l > (6-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane]oxy}oxan-3-yl]oxy}-3-hydroxy-4,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl)methyl acetate > 0 > Neomacrostemonoside D > 226713-77-5 $$$$