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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H31NO2
Molecular Weight 365.5084
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3S,8R,9S,10R,13S,14S)-10,13-DIMETHYL-17-(1-OXIDOPYRIDIN-1-IUM-3-YL)-2,3,4,7,8,9,11,12,14,15-DECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-3-OL

SMILES

[H][C@@]12CC=C(C3=CC=C[N+]([O-])=C3)[C@@]1(C)CC[C@@]4([H])[C@@]2([H])CC=C5C[C@@H](O)CC[C@]45C

InChI

InChIKey=CZKQCNRNNUYEPR-VJLLXTKPSA-N
InChI=1S/C24H31NO2/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25(27)15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(3S,8R,9S,10R,13S,14S)-10,13-DIMETHYL-17-(1-OXIDOPYRIDIN-1-IUM-3-YL)-2,3,4,7,8,9,11,12,14,15-DECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-3-OL
Systematic Name English
ABIRATERONE METABOLITE M11
Common Name English
Code System Code Type Description
PUBCHEM
129012002
Created by admin on Sat Dec 16 14:31:02 GMT 2023 , Edited by admin on Sat Dec 16 14:31:02 GMT 2023
PRIMARY
FDA UNII
Y5VR2HCG33
Created by admin on Sat Dec 16 14:31:02 GMT 2023 , Edited by admin on Sat Dec 16 14:31:02 GMT 2023
PRIMARY