(Q105280721)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

372.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈O₅

0 references

canonical SMILES

O=C(O)C(C)C1CCC2C3C=CC4=CC(=O)C(O)CC4(C)C3CC(=O)C21C

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isomeric SMILES

C[C@H](C(=O)O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)[C@@H](O)C[C@]4(C)[C@H]3CC(=O)[C@@]21C

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found in taxon

Nocardioides simplex

1 reference

stated in

Transformation of cholic acid by Arthrobacter simplex

Identifiers

InChI

InChI=1S/C22H28O5/c1-11(20(26)27)14-6-7-15-13-5-4-12-8-17(23)18(24)10-21(12,2)16(13)9-19(25)22(14,15)3/h4-5,8,11,13-16,18,24H,6-7,9-10H2,1-3H3,(H,26,27)/t11-,13-,14+,15-,16-,18-,21-,22+/m0/s1

0 references

InChIKey

UXCRCPUXEASPSG-CJVUYMJZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UXCRCPUXEASPSG-CJVUYMJZSA-N

(Q105280721)

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

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Identifiers

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