(Q76084654)

English

(8S,9R,10S,13S,14S,17S)-17-acetyl-6-methoxy-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

chemical compound

In more languages

Statements

type of chemical entity

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pregnane steroid

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based on heuristic

inferred from SMILES

342.21949481999997 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₂H₃₀O₃

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canonical SMILES

COC1=CC2C(CCC3(C)C(C(C)=O)CCC23)C2(C)CCC(=O)C=C12

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@H]2C=C(C4=CC(=O)CC[C@@]34C)OC)C

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Identifiers

InChI=1S/C22H30O3/c1-13(23)16-5-6-17-15-12-20(25-4)19-11-14(24)7-9-22(19,3)18(15)8-10-21(16,17)2/h11-12,15-18H,5-10H2,1-4H3/t15-,16+,17-,18+,21+,22-/m0/s1

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CIWNJMYTEHAMBY-SJGKADBUSA-N

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CAS Registry Number

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1 reference

matched by identifier from

CIWNJMYTEHAMBY-SJGKADBUSA-N

UniChem compound ID

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DSSTox substance ID

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matched by identifier from

CIWNJMYTEHAMBY-SJGKADBUSA-N

DSSTOX compound identifier

DTXCID101389464

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