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

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H40O2
Molecular Weight 432.6374
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 8
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-CITRAURIN

SMILES

C\C(C=O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C

InChI

InChIKey=AVPAEFHIEZLSLZ-QCPGYTKSSA-N
InChI=1S/C30H40O2/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-29-27(5)20-28(32)21-30(29,6)7/h8-19,22,28,32H,20-21H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12+,24-13+,25-16+,26-17+/t28-/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H40O2
Molecular Weight 432.6374
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 8
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:03:30 GMT 2023
Edited
by admin
on Sat Dec 16 08:03:30 GMT 2023
Record UNII
GRI2528DO7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-CITRAURIN
MI  
Common Name English
(2E,4E,6E,8E,10E,12E,14E,16E)-17-((4R)-4-HYDROXY-2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-2,6,11,15-TETRAMETHYL-2,4,6,8,10,12,14,16-HEPTADECAOCTAENAL
Systematic Name English
.BETA.-CITRAURIN, ALL-TRANS-
Common Name English
APO-8'-ZEAXANTHINAL
Common Name English
2,4,6,8,10,12,14,16-HEPTADECAOCTAENAL, 17-((4R)-4-HYDROXY-2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-2,6,11,15-TETRAMETHYL-, (2E,4E,6E,8E,10E,12E,14E,16E)-
Systematic Name English
(3R)-3-HYDROXY-.BETA.-APO-8'-CAROTENAL
Common Name English
3-HYDROXY-.BETA.-APO-8'-CAROTENAL
Common Name English
.BETA.-CITRAURIN [MI]
Common Name English
ALL-TRANS-.BETA.-CITRAURIN
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID201024326
Created by admin on Sat Dec 16 08:03:30 GMT 2023 , Edited by admin on Sat Dec 16 08:03:30 GMT 2023
PRIMARY
CHEBI
53159
Created by admin on Sat Dec 16 08:03:30 GMT 2023 , Edited by admin on Sat Dec 16 08:03:30 GMT 2023
PRIMARY
MERCK INDEX
m3593
Created by admin on Sat Dec 16 08:03:30 GMT 2023 , Edited by admin on Sat Dec 16 08:03:30 GMT 2023
PRIMARY Merck Index
FDA UNII
GRI2528DO7
Created by admin on Sat Dec 16 08:03:30 GMT 2023 , Edited by admin on Sat Dec 16 08:03:30 GMT 2023
PRIMARY
CAS
650-69-1
Created by admin on Sat Dec 16 08:03:30 GMT 2023 , Edited by admin on Sat Dec 16 08:03:30 GMT 2023
PRIMARY
PUBCHEM
9845703
Created by admin on Sat Dec 16 08:03:30 GMT 2023 , Edited by admin on Sat Dec 16 08:03:30 GMT 2023
PRIMARY