(Q105010517)

English

2-(10,13-dimethyl-3,12-dioxo-2,8,9,11,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoic acid

group of stereoisomers with the chemical formula C₂₂H₂₈O₄

In more languages

Statements

group of stereoisomers

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24-dinorcholane steroid

1 reference

24-dinorcholane steroid

356.198759376 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈O₄

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canonical SMILES

O=C1C=C2C=CC3C(CC(=O)C4(C)C(CCC34)C(C(=O)O)C)C2(C)CC1

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1 reference

Transformation of cholic acid by Arthrobacter simplex

Identifiers

InChI=1S/C22H28O4/c1-12(20(25)26)16-6-7-17-15-5-4-13-10-14(23)8-9-21(13,2)18(15)11-19(24)22(16,17)3/h4-5,10,12,15-18H,6-9,11H2,1-3H3,(H,25,26)

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GKYNTHGILUMXQI-UHFFFAOYSA-N

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2 references

10 May 2023

based on heuristic

inferred from InChIKey

matched by identifier from

GKYNTHGILUMXQI-UHFFFAOYSA-N

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