2-((4aS,4bS,5aS,6aS,7R,9aS,9bS)-2-Acetoxy-7-hydroxy-4a,6a-dimethyl-4a,5a,6,6a,7,8,9,9a,9b,10-decahydrocyclopenta[1,2]phenanthro[4,4a-b]oxiren-7-yl)-2-oxoethyl acetate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H30O7
Molecular Weight	442.5015
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-((4aS,4bS,5aS,6aS,7R,9aS,9bS)-2-Acetoxy-7-hydroxy-4a,6a-dimethyl-4a,5a,6,6a,7,8,9,9a,9b,10-decahydrocyclopenta[1,2]phenanthro[4,4a-b]oxiren-7-yl)-2-oxoethyl acetate

Structure Search

SMILES

CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C=C(OC(C)=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]12C

InChI

InChIKey=TXYGEOQJYXZCSE-IFCRGVKQSA-N

InChI=1S/C25H30O7/c1-14(26)30-13-20(28)24(29)10-8-18-19-6-5-16-11-17(31-15(2)27)7-9-22(16,3)25(19)21(32-25)12-23(18,24)4/h5,7,9,11,18-19,21,29H,6,8,10,12-13H2,1-4H3/t18-,19-,21-,22-,23-,24-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H30O7
Molecular Weight	442.5015
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 14:41:44 GMT 2025` Edited by `admin` on `Wed Apr 02 14:41:44 GMT 2025`
Record UNII	H3ST8XN423
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Pregna-1,3,5-trien-20-one, 3,21-bis(acetyloxy)-9,11-epoxy-17-hydroxy-, (9?,11?)-

Preferred Name

English

2-((4aS,4bS,5aS,6aS,7R,9aS,9bS)-2-Acetoxy-7-hydroxy-4a,6a-dimethyl-4a,5a,6,6a,7,8,9,9a,9b,10-decahydrocyclopenta[1,2]phenanthro[4,4a-b]oxiren-7-yl)-2-oxoethyl acetate

Systematic Name

English

Code System Code Type Description

CAS

74170-80-2

Created by admin on Wed Apr 02 14:41:44 GMT 2025 , Edited by admin on Wed Apr 02 14:41:44 GMT 2025

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PUBCHEM

86737547

Created by admin on Wed Apr 02 14:41:44 GMT 2025 , Edited by admin on Wed Apr 02 14:41:44 GMT 2025

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FDA UNII

H3ST8XN423

Created by admin on Wed Apr 02 14:41:44 GMT 2025 , Edited by admin on Wed Apr 02 14:41:44 GMT 2025

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