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

Details

Stereochemistry ACHIRAL
Molecular Formula C40H56
Molecular Weight 536.8726
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 9
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-CAROTENE, (13Z)-

SMILES

CC(\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C2=C(C)CCCC2(C)C

InChI

InChIKey=OENHQHLEOONYIE-MZMZTKINSA-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/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17-,32-18+,33-21+,34-22+

HIDE SMILES / InChI

Molecular Formula C40H56
Molecular Weight 536.8726
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 9
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:09:00 UTC 2023
Edited
by admin
on Sat Dec 16 10:09:00 UTC 2023
Record UNII
8BK6YA62H6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-CAROTENE, (13Z)-
Common Name English
1,3,3-TRIMETHYL-2-((1E,3E,5E,7E,9E,11Z,13E,15E,17E)-3,7,12,16-TETRAMETHYL-18-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-1,3,5,7,9,11,13,15,17-OCTADECANONAEN-1-YL)CYCLOHEXENE
Systematic Name English
.BETA.,.BETA.-CAROTENE, 13-CIS-
Common Name English
(13CIS)-.BETA.,.BETA.-CAROTENE
Common Name English
2,2'-((1E,3E,5E,7Z,9E,11E,13E,15E,17E)-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENE-1,18-DIYL)BIS(1,3,3-TRIMETHYLCYCLOHEX-1-ENE)
Systematic Name English
13-CIS-.BETA.-CAROTENE
Common Name English
13'-CIS-.BETA.-CAROTENE
Common Name English
(13Z)-.BETA.-CAROTENE
Common Name English
(13Z)-.BETA.,.BETA.-CAROTENE
Common Name English
.BETA.-CAROTENE, NEO B-
Common Name English
NEO-.BETA.-CAROTENE B
Common Name English
PSEUDO-.ALPHA.-CAROTENE
Common Name English
Code System Code Type Description
FDA UNII
8BK6YA62H6
Created by admin on Sat Dec 16 10:09:00 UTC 2023 , Edited by admin on Sat Dec 16 10:09:00 UTC 2023
PRIMARY
PUBCHEM
10256668
Created by admin on Sat Dec 16 10:09:00 UTC 2023 , Edited by admin on Sat Dec 16 10:09:00 UTC 2023
PRIMARY
CAS
6811-73-0
Created by admin on Sat Dec 16 10:09:00 UTC 2023 , Edited by admin on Sat Dec 16 10:09:00 UTC 2023
PRIMARY
EPA CompTox
DTXSID10920482
Created by admin on Sat Dec 16 10:09:00 UTC 2023 , Edited by admin on Sat Dec 16 10:09:00 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> ACTIVE CONSTITUENT ALWAYS PRESENT
ASSAY (HPLC)
Batch Data
Related Record Type Details
PARENT -> IMPURITY
USP