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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

SMILES

[H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@@H]3O[C@]34[C@@]2([H])CC=C5C=C(OC(C)=O)C=C[C@]45C

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

Approval Year

Name Type Language
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
Pregna-1,3,5-trien-20-one, 3,21-bis(acetyloxy)-9,11-epoxy-17-hydroxy-, (9β,11β)-
Systematic Name English
Code System Code Type Description
CAS
74170-80-2
Created by admin on Sat Dec 16 19:17:13 GMT 2023 , Edited by admin on Sat Dec 16 19:17:13 GMT 2023
PRIMARY
PUBCHEM
86737547
Created by admin on Sat Dec 16 19:17:13 GMT 2023 , Edited by admin on Sat Dec 16 19:17:13 GMT 2023
PRIMARY
FDA UNII
H3ST8XN423
Created by admin on Sat Dec 16 19:17:13 GMT 2023 , Edited by admin on Sat Dec 16 19:17:13 GMT 2023
PRIMARY