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

Details

Stereochemistry ABSOLUTE
Molecular Formula C31H50O2
Molecular Weight 454.7275
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CHONDRILLASTEROL ACETATE

SMILES

CC[C@@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)C(C)C

InChI

InChIKey=VQLULFBGTFJDEB-WMEKXSQASA-N
InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-10,12,20-21,23-25,27-29H,8,11,13-19H2,1-7H3/b10-9+/t21-,23+,24+,25+,27-,28+,29+,30+,31-/m1/s1

HIDE SMILES / InChI

Molecular Formula C31H50O2
Molecular Weight 454.7275
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:58:29 GMT 2025
Edited
by admin
on Mon Mar 31 21:58:29 GMT 2025
Record UNII
N300S31DFE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHONDRILLASTEROL ACETATE [MI]
Preferred Name English
CHONDRILLASTEROL ACETATE
MI  
Common Name English
STIGMASTA-7,22-DIEN-3-OL, ACETATE, (3.BETA.,5.ALPHA.,22E,24R)-
Systematic Name English
CHONDRILLASTERYL ACETATE
Common Name English
Code System Code Type Description
MERCK INDEX
m3486
Created by admin on Mon Mar 31 21:58:29 GMT 2025 , Edited by admin on Mon Mar 31 21:58:29 GMT 2025
PRIMARY Merck Index
CAS
4651-47-2
Created by admin on Mon Mar 31 21:58:29 GMT 2025 , Edited by admin on Mon Mar 31 21:58:29 GMT 2025
PRIMARY
FDA UNII
N300S31DFE
Created by admin on Mon Mar 31 21:58:29 GMT 2025 , Edited by admin on Mon Mar 31 21:58:29 GMT 2025
PRIMARY
PUBCHEM
14237817
Created by admin on Mon Mar 31 21:58:29 GMT 2025 , Edited by admin on Mon Mar 31 21:58:29 GMT 2025
PRIMARY