U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H50O
Molecular Weight 414.7078
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of COPROSTIGMASTENOL

SMILES

CC[C@]([H])(/C(/[H])=C(\[H])/[C@@]([H])(C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@]([H])(CC[C@]4(C)[C@@]3([H])CC[C@]12C)O)C(C)C

InChI

InChIKey=CSVWWLUMXNHWSU-GTLBVPEVSA-N
InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,19-27,30H,7,10-18H2,1-6H3/b9-8+/t20-,21-,22-,23+,24+,25-,26+,27+,28+,29-/m1/s1

HIDE SMILES / InChI

Molecular Formula C29H50O
Molecular Weight 414.7078
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 14:45:08 UTC 2021
Edited
by admin
on Sat Jun 26 14:45:08 UTC 2021
Record UNII
RYC9KUU25P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
COPROSTIGMASTENOL
Common Name English
STIGMAST-22-EN-3-OL, (3.BETA.,5.BETA.,22E)-
Systematic Name English
(3S,5R,8R,9S,10S,13R,14S,17R)-17-((2R,5S,E)-5-ETHYL-6-METHYLHEPT-3-EN-2-YL)-10,13-DIMETHYLHEXADECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-3-OL
Common Name English
24-ETHYL-5.BETA.-CHOLEST-22-EN-3.BETA.-OL
Systematic Name English
5.BETA.-STIGMAST-22-EN-3.BETA.-OL
Systematic Name English
24.BETA.-ETHYL-5.BETA.-CHOLEST-22-EN-3.BETA.-OL
Systematic Name English
Code System Code Type Description
CAS
4736-96-3
Created by admin on Sat Jun 26 14:45:08 UTC 2021 , Edited by admin on Sat Jun 26 14:45:08 UTC 2021
PRIMARY
FDA UNII
RYC9KUU25P
Created by admin on Sat Jun 26 14:45:08 UTC 2021 , Edited by admin on Sat Jun 26 14:45:08 UTC 2021
PRIMARY
PUBCHEM
91936906
Created by admin on Sat Jun 26 14:45:08 UTC 2021 , Edited by admin on Sat Jun 26 14:45:08 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE