(Q105346141)

English

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

group of stereoisomers with the chemical formula C₃₀H₄₆O₇

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instance of

group of stereoisomers

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1 reference

518.3243538119999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₄₆O₇

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canonical SMILES

O=C1OCC(=C1)C2CCC3(O)C4CCC5CC(OC6OC(C)C(O)C(OC)C6)CCC5(C)C4CCC23C

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isomeric SMILES

CO[C@@H]1C[C@H](O[C@H]2CCC3(C)C4CCC5(C)C(C6=CC(=O)OC6)CC[C@]5(O)C4CC[C@@H]3C2)O[C@H](C)[C@@H]1O

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Identifiers

InChI

InChI=1S/C30H46O7/c1-17-27(32)24(34-4)15-26(36-17)37-20-7-10-28(2)19(14-20)5-6-23-22(28)8-11-29(3)21(9-12-30(23,29)33)18-13-25(31)35-16-18/h13,17,19-24,26-27,32-33H,5-12,14-16H2,1-4H3/t17-,19-,20+,21?,22?,23?,24-,26+,27+,28?,29?,30+/m1/s1

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InChIKey

YBZZSZQZDODUAA-GXNXCTKLSA-N

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PubChem CID

6325749

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matched by identifier from

InChIKey

YBZZSZQZDODUAA-GXNXCTKLSA-N

(Q105346141)

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

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