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

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H46O4
Molecular Weight 458.6731
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SARSASAPOGENIN ACETATE

SMILES

[H][C@]12C[C@@]3([H])[C@]4([H])CC[C@]5([H])C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]6(CC[C@H](C)CO6)O2)OC(C)=O

InChI

InChIKey=LVRAKYNQYKVPIK-ZVTQFVCFSA-N
InChI=1S/C29H46O4/c1-17-8-13-29(31-16-17)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32-19(3)30)9-11-27(20,4)23(22)10-12-28(24,26)5/h17-18,20-26H,6-16H2,1-5H3/t17-,18-,20+,21-,22+,23-,24-,25-,26-,27-,28-,29+/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H46O4
Molecular Weight 458.6731
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:46:34 GMT 2023
Edited
by admin
on Sat Dec 16 14:46:34 GMT 2023
Record UNII
1R3046UH5L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SARSASAPOGENIN ACETATE
Common Name English
NSC-40898
Code English
SPIROSTAN-3-OL, ACETATE, (3.BETA.,5.BETA.,25S)-
Common Name English
(25S)-5.BETA.-SPIROSTAN-3.BETA.-OL ACETATE
Common Name English
SARSASAPOGENIN ACETATE [MI]
Common Name English
SPIROSTAN-3-OL, 3-ACETATE, (3.BETA.,5.BETA.,25S)-
Common Name English
Code System Code Type Description
MERCK INDEX
m9787
Created by admin on Sat Dec 16 14:46:34 GMT 2023 , Edited by admin on Sat Dec 16 14:46:34 GMT 2023
PRIMARY
NSC
40898
Created by admin on Sat Dec 16 14:46:34 GMT 2023 , Edited by admin on Sat Dec 16 14:46:34 GMT 2023
PRIMARY
FDA UNII
1R3046UH5L
Created by admin on Sat Dec 16 14:46:34 GMT 2023 , Edited by admin on Sat Dec 16 14:46:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID501314421
Created by admin on Sat Dec 16 14:46:34 GMT 2023 , Edited by admin on Sat Dec 16 14:46:34 GMT 2023
PRIMARY
PUBCHEM
10671591
Created by admin on Sat Dec 16 14:46:34 GMT 2023 , Edited by admin on Sat Dec 16 14:46:34 GMT 2023
PRIMARY
CAS
35319-91-6
Created by admin on Sat Dec 16 14:46:34 GMT 2023 , Edited by admin on Sat Dec 16 14:46:34 GMT 2023
PRIMARY