(Q105291030)

English

4-[(1R,3aS,5aS,7S,9aS,11aR)-7-{[(2S,5R)-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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instance of

group of stereoisomers

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1 reference

534.3192684319998 dalton

1 reference

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

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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-/m0/s1

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InChIKey

VPUNMTHWNSJUOG-XAFPKRIKSA-N

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PubChem CID

36742

1 reference

based on heuristic

inferred from InChIKey

1 reference

(Q105291030)

4-[(1R,3aS,5aS,7S,9aS,11aR)-7-{[(2S,5R)-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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