(Q104392407)

English

4-[(3aS,3bR,5aR,9aS,9bR,11aR)-7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3a-hydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl]-5H-furan-2-one

group of stereoisomers with the chemical formula C₃₀H₄₆O₈

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group of stereoisomers

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534.319268432 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₄₆O₈

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canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4CCC5CC(OC6OC(C)C(O)C(OC)C6O)CCC5(C)C4CCC23C

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isomeric SMILES

COC1C(O)C(C)OC(OC2CC[C@@]3(C)[C@H](CC[C@@H]4[C@H]3CC[C@]3(C)C(C5=CC(=O)OC5)CC[C@]43O)C2)C1O

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Identifiers

InChI

InChI=1S/C30H46O8/c1-16-24(32)26(35-4)25(33)27(37-16)38-19-7-10-28(2)18(14-19)5-6-22-21(28)8-11-29(3)20(9-12-30(22,29)34)17-13-23(31)36-15-17/h13,16,18-22,24-27,32-34H,5-12,14-15H2,1-4H3/t16?,18-,19?,20?,21-,22-,24?,25?,26?,27?,28+,29-,30+/m1/s1

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InChIKey

VPUNMTHWNSJUOG-ZUYBSCFSSA-N

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(Q104392407)

4-[(3aS,3bR,5aR,9aS,9bR,11aR)-7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3a-hydroxy-9a,11a-dimethyl-tetradecahydrocyclopenta[a]phenanthren-1-yl]-5H-furan-2-one

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