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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H38O4
Molecular Weight 390.5561
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 17?-(3-Hydroxypropyl)-6?,7?,15?,16?-dimethylene-5?-androstane-3?,5,17?-triol

SMILES

C[C@]12CC[C@H]3[C@@H]([C@H]4C[C@H]4[C@]5(O)C[C@@H](O)CC[C@]35C)[C@@H]1[C@@H]6C[C@@H]6[C@@]2(O)CCCO

InChI

InChIKey=ZDMZCRYKODGNBZ-FQKVVJEISA-N
InChI=1S/C24H38O4/c1-21-7-4-13(26)12-24(21,28)17-10-14(17)19-16(21)5-8-22(2)20(19)15-11-18(15)23(22,27)6-3-9-25/h13-20,25-28H,3-12H2,1-2H3/t13-,14-,15+,16-,17+,18-,19+,20-,21+,22-,23-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H38O4
Molecular Weight 390.5561
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 21:13:27 GMT 2025
Edited
by admin
on Wed Apr 02 21:13:27 GMT 2025
Record UNII
WFD4CLB7X4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S,17S)-Octadecahydro-17-(3-hydroxypropyl)-10,13-dimethyl-5H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-3,5,17-triol
Preferred Name English
17?-(3-Hydroxypropyl)-6?,7?,15?,16?-dimethylene-5?-androstane-3?,5,17?-triol
Systematic Name English
17-(3-Hydroxypropyl)-6?,7?:15?,16?-dimethyleneandrostane-3?,5?,17?-triol
Systematic Name English
5H-Dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-3,5,17-triol, octadecahydro-17-(3-hydroxypropyl)-10,13-dimethyl-, [3S-(3?,5?,6?,7?,8?,9?,10?,13?,14?,15?,16?,17?)]-
Systematic Name English
5H-Dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-3,5,17-triol, octadecahydro-17-(3-hydroxypropyl)-10,13-dimethyl-, (3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S,17S)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID201036466
Created by admin on Wed Apr 02 21:13:27 GMT 2025 , Edited by admin on Wed Apr 02 21:13:27 GMT 2025
PRIMARY
PUBCHEM
57552477
Created by admin on Wed Apr 02 21:13:27 GMT 2025 , Edited by admin on Wed Apr 02 21:13:27 GMT 2025
PRIMARY
CAS
82543-18-8
Created by admin on Wed Apr 02 21:13:27 GMT 2025 , Edited by admin on Wed Apr 02 21:13:27 GMT 2025
PRIMARY
FDA UNII
WFD4CLB7X4
Created by admin on Wed Apr 02 21:13:27 GMT 2025 , Edited by admin on Wed Apr 02 21:13:27 GMT 2025
PRIMARY