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

Details

Stereochemistry ABSOLUTE
Molecular Formula C40H58O2
Molecular Weight 570.8873
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 8
Charge 0

SHOW SMILES / InChI
Structure of PARASILOXANTHIN

SMILES

C\C(CCC1=C(C)C[C@@H](O)CC1(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](O)CC2(C)C

InChI

InChIKey=ZAYHYNGKERKFHJ-DRCJTWAYSA-N
InChI=1S/C40H58O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-21,23,35-36,41-42H,22,24-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PARASILOXANTHIN
Common Name English
.BETA.,.BETA.-CAROTENE-3,3'-DIOL, 7,8-DIHYDRO-, (3R,3'R)-
Common Name English
(3R,3'R)-7,8-DIHYDRO-.BETA.,.BETA.-CAROTENE-3,3'-DIOL
Common Name English
(1R)-4-((3E,5E,7E,9E,11E,13E,15E,17E)-18-((4R)-4-HYDROXY-2,6,6-TRIMETHYL-CYCLOHEXEN-1-YL)-3,7,12,16-TETRAMETHYL-OCTADECA-3,5,7,9,11,13,15,17-OCTAENYL)-3,5,5-TRIMETHYL-CYCLOHEX-3-EN-1-OL
Systematic Name English
PARASILOXANTHIN-
Common Name English
Code System Code Type Description
FDA UNII
QK9M8U8YHU
Created by admin on Sat Dec 16 10:45:42 GMT 2023 , Edited by admin on Sat Dec 16 10:45:42 GMT 2023
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EPA CompTox
DTXSID201317119
Created by admin on Sat Dec 16 10:45:42 GMT 2023 , Edited by admin on Sat Dec 16 10:45:42 GMT 2023
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CAS
62994-48-3
Created by admin on Sat Dec 16 10:45:42 GMT 2023 , Edited by admin on Sat Dec 16 10:45:42 GMT 2023
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PUBCHEM
87445983
Created by admin on Sat Dec 16 10:45:42 GMT 2023 , Edited by admin on Sat Dec 16 10:45:42 GMT 2023
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