(Q105024964)

English

(2R,3S,17R)-17-[(2S,3R,4R)-3,4-dihydroxy-6,6-dimethyl-5-methylideneheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

group of stereoisomers with the chemical formula C₂₉H₄₈O₅

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Statements

instance of

group of stereoisomers

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subclass of

25-methylergostane steroid

1 reference

inferred from

25-methylergostane steroid

mass

476.35017463599996 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₉H₄₈O₅

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canonical SMILES

O=C1CC2C3CCC(C(C)C(O)C(O)C(=C)C(C)(C)C)C3(C)CCC2C4(C)CC(O)C(O)CC14

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isomeric SMILES

C=C([C@@H](O)[C@H](O)[C@@H](C)[C@H]1CCC2C3CC(=O)C4C[C@H](O)[C@H](O)CC4(C)C3CCC21C)C(C)(C)C

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Identifiers

InChI

InChI=1S/C29H48O5/c1-15(25(33)26(34)16(2)27(3,4)5)18-8-9-19-17-12-22(30)21-13-23(31)24(32)14-29(21,7)20(17)10-11-28(18,19)6/h15,17-21,23-26,31-34H,2,8-14H2,1,3-7H3/t15-,17?,18+,19?,20?,21?,23-,24+,25+,26+,28?,29?/m0/s1

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InChIKey

HAOQPQZVDMAOKT-MJJQIULESA-N

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PubChem CID

101608286

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

HAOQPQZVDMAOKT-MJJQIULESA-N

1 reference

(Q105024964)

(2R,3S,17R)-17-[(2S,3R,4R)-3,4-dihydroxy-6,6-dimethyl-5-methylideneheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one

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Identifiers

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