(Q76422226)

English

3-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

chemical compound

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instance of

type of chemical entity

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subclass of

14-Hydroxy-3-oxocard-20(22)-enolide

1 reference

based on heuristic

inferred from SMILES

mass

372.23005950399994 dalton

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based on heuristic

inferred from isomeric SMILES

stereoisomer of

10.14272/Rejbtxqsiqfrre-nqfmhkjysa-N.1

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₃H₃₂O₄

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canonical SMILES

CC12CCC(=O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C

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Identifiers

InChI

InChI=1S/C23H32O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15,17-19,26H,3-10,12-13H2,1-2H3/t15-,17-,18+,19-,21+,22-,23+/m1/s1

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InChIKey

REJBTXQSIQFRRE-XZBQRBHSSA-N

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CAS Registry Number

1102-88-1

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stated in

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

PubChem CID

11875334

1 reference

matched by identifier from

InChIKey

REJBTXQSIQFRRE-XZBQRBHSSA-N

1 reference

(Q76422226)

3-[(5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

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