(Q82647500)

English

5-[(8R,9S,10S,13R,14S,17R)-10,13-Dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]hexanoic acid (non-preferred name)

chemical compound

In more languages

Statements

group of stereoisomers

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chemical compound

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374.318480584 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₅H₄₂O₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(CCCC(=O)O)C1CCC2C3CCC4CCCCC4(C)C3CCC12C

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@H](CCCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C25H42O2/c1-17(7-6-9-23(26)27)20-12-13-21-19-11-10-18-8-4-5-15-24(18,2)22(19)14-16-25(20,21)3/h17-22H,4-16H2,1-3H3,(H,26,27)/t17-,18?,19+,20-,21+,22+,24+,25-/m1/s1

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XYENJEIECCSMAR-OAFMNPBWSA-N

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CAS Registry Number

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1 reference

26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

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