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

Details

Stereochemistry MIXED
Molecular Formula C30H48O6
Molecular Weight 504.6985
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 13
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Anicequol

SMILES

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

InChI

InChIKey=LWMKDRSIMLTGDK-VKUMDVJMSA-N
InChI=1S/C30H48O6/c1-15(2)16(3)8-9-17(4)25-23(36-18(5)31)13-20-24-26(22(33)14-30(20,25)7)29(6)11-10-19(32)12-21(29)27(34)28(24)35/h8-9,15-17,19-26,28,32-33,35H,10-14H2,1-7H3/b9-8+/t16-,17?,19-,20-,21+,22-,23-,24-,25-,26?,28+,29-,30-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Anicequol
Common Name English
NGA-0187
Preferred Name English
(3?,5?,7?,11?,16?,22E)-16-(Acetyloxy)-3,7,11-trihydroxyergost-22-en-6-one
Systematic Name English
NG 187
Common Name English
NGA0187
Code English
ERGOST-22-EN-6-ONE, 16-(ACETYLOXY)-3,7,11-TRIHYDROXY-
Systematic Name English
NGD-187
Code English
Code System Code Type Description
CAS
163565-48-8
Created by admin on Wed Apr 02 09:15:07 GMT 2025 , Edited by admin on Wed Apr 02 09:15:07 GMT 2025
PRIMARY
EPA CompTox
DTXSID201045471
Created by admin on Wed Apr 02 09:15:07 GMT 2025 , Edited by admin on Wed Apr 02 09:15:07 GMT 2025
PRIMARY
WIKIPEDIA
Anicequol
Created by admin on Wed Apr 02 09:15:07 GMT 2025 , Edited by admin on Wed Apr 02 09:15:07 GMT 2025
PRIMARY
FDA UNII
5HJL84XH3J
Created by admin on Wed Apr 02 09:15:07 GMT 2025 , Edited by admin on Wed Apr 02 09:15:07 GMT 2025
PRIMARY
PUBCHEM
10413810
Created by admin on Wed Apr 02 09:15:07 GMT 2025 , Edited by admin on Wed Apr 02 09:15:07 GMT 2025
PRIMARY