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

Details

Stereochemistry ABSOLUTE
Molecular Formula C40H56
Molecular Weight 536.8726
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 9
Charge 0

SHOW SMILES / InChI
Structure of .EPSILON.-CAROTENE, (6R,6'R)-

SMILES

CC(\C=C\C=C(C)\C=C\[C@H]1C(C)=CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H]2C(C)=CCCC2(C)C

InChI

InChIKey=QABFXOMOOYWZLZ-GDBZIMIPSA-N
InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-28,37-38H,15-16,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+/t37-,38-/m0/s1

HIDE SMILES / InChI

Molecular Formula C40H56
Molecular Weight 536.8726
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 9
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:11:42 GMT 2023
Edited
by admin
on Sat Dec 16 11:11:42 GMT 2023
Record UNII
632758C52E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.EPSILON.-CAROTENE, (6R,6'R)-
Common Name English
EPSILON-CAROTENE
Common Name English
.EPSILON.-CAROTENE, ALL-TRANS-
Common Name English
.EPSILON.-CAROTENE
Common Name English
.EPSILON.,.EPSILON.-CAROTENE, (6R,6'R)-
Common Name English
(ALL-E)-3,3'-(3,7,12,16-TETRAMETHYL-1,3,5,7,9,11,13,15,17-OCTADECANONAENE-1,18-DIYL)BIS(2,4,4-TRIMETHYLCYCLOHEXENE), (R,R)-
Systematic Name English
Code System Code Type Description
WIKIPEDIA
ε-Carotene
Created by admin on Sat Dec 16 11:11:42 GMT 2023 , Edited by admin on Sat Dec 16 11:11:42 GMT 2023
PRIMARY
CAS
38894-81-4
Created by admin on Sat Dec 16 11:11:42 GMT 2023 , Edited by admin on Sat Dec 16 11:11:42 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
632758C52E
Created by admin on Sat Dec 16 11:11:42 GMT 2023 , Edited by admin on Sat Dec 16 11:11:42 GMT 2023
PRIMARY
CAS
472-89-9
Created by admin on Sat Dec 16 11:11:42 GMT 2023 , Edited by admin on Sat Dec 16 11:11:42 GMT 2023
PRIMARY
PUBCHEM
12358808
Created by admin on Sat Dec 16 11:11:42 GMT 2023 , Edited by admin on Sat Dec 16 11:11:42 GMT 2023
PRIMARY
CAS
31063-35-1
Created by admin on Sat Dec 16 11:11:42 GMT 2023 , Edited by admin on Sat Dec 16 11:11:42 GMT 2023
SUPERSEDED
CHEBI
32549
Created by admin on Sat Dec 16 11:11:42 GMT 2023 , Edited by admin on Sat Dec 16 11:11:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID30332225
Created by admin on Sat Dec 16 11:11:42 GMT 2023 , Edited by admin on Sat Dec 16 11:11:42 GMT 2023
PRIMARY