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

Details

Stereochemistry ABSOLUTE
Molecular Formula C44H60O5
Molecular Weight 668.9442
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 9
Charge 0

SHOW SMILES / InChI
Structure of CAPSANTHIN DIACETATE

SMILES

CC(=O)O[C@H]1CC(C)(C)[C@@](C)(C1)C(=O)\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C2=C(C)C[C@H](CC2(C)C)OC(C)=O

InChI

InChIKey=XRASMHAVNYGCPS-QJJJVGGWSA-N
InChI=1S/C44H60O5/c1-31(19-15-21-33(3)23-25-40-35(5)27-38(48-36(6)45)28-42(40,8)9)17-13-14-18-32(2)20-16-22-34(4)24-26-41(47)44(12)30-39(49-37(7)46)29-43(44,10)11/h13-26,38-39H,27-30H2,1-12H3/b14-13+,19-15+,20-16+,25-23+,26-24+,31-17+,32-18+,33-21+,34-22+/t38-,39+,44+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CAPSANTHIN DIACETATE
MI  
Common Name English
2,4,6,8,10,12,14,16,18-NONADECANONAEN-1-ONE, 19-(4-HYDROXY-2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-1-(4-HYDROXY-1,2,2-TRIMETHYLCYCLOPENTYL)-4,8,13,17-TETRAMETHYL-, DIACETATE
Common Name English
CAPSANTHIN DIACETATE [MI]
Common Name English
.BETA.,.KAPPA.-CAROTEN-6'-ONE, 3,3'-BIS(ACETYLOXY)-, (3R,3'S,5'R)-
Common Name English
Code System Code Type Description
PUBCHEM
71587078
Created by admin on Sat Dec 16 05:30:24 GMT 2023 , Edited by admin on Sat Dec 16 05:30:24 GMT 2023
PRIMARY
CAS
25946-06-9
Created by admin on Sat Dec 16 05:30:24 GMT 2023 , Edited by admin on Sat Dec 16 05:30:24 GMT 2023
PRIMARY
FDA UNII
G6P80N7Z5H
Created by admin on Sat Dec 16 05:30:24 GMT 2023 , Edited by admin on Sat Dec 16 05:30:24 GMT 2023
PRIMARY
MERCK INDEX
m3041
Created by admin on Sat Dec 16 05:30:24 GMT 2023 , Edited by admin on Sat Dec 16 05:30:24 GMT 2023
PRIMARY Merck Index
EPA CompTox
DTXSID50180609
Created by admin on Sat Dec 16 05:30:24 GMT 2023 , Edited by admin on Sat Dec 16 05:30:24 GMT 2023
PRIMARY