CAPSORUBIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H56O4
Molecular Weight	600.8702
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	9
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(\C=C\C=C(C)\C=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)[C@]2(C)C[C@@H](O)CC2(C)C

InChI

InChIKey=GVOIABOMXKDDGU-YUURSNASSA-N

InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-35(43)39(9)27-33(41)25-37(39,5)6)15-11-12-16-30(2)18-14-20-32(4)22-24-36(44)40(10)28-34(42)26-38(40,7)8/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,39-,40-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C40H56O4
Molecular Weight	600.8702
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	9
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:50:53 UTC 2023` Edited by `admin` on `Fri Dec 15 19:50:53 UTC 2023`
Record UNII	805VAB3L0H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CAPSORUBIN

Common Name

English

(3S,3'S,5R,5'R)-3,3'-DIHYDROXY-.KAPPA.,.KAPPA.-CAROTENE-6,6'-DIONE

Common Name

English

.KAPPA.,.KAPPA.-CAROTENE-6,6'-DIONE, 3,3'-DIHYDROXY-, (3S,3'S,5R,5'R)-

Systematic Name

English

2,4,6,8,10,12,14,16,18-EICOSANONAENE-1,20-DIONE, 1,20-BIS(4-HYDROXY-1,2,2-TRIMETHYLCYCLOPENTYL)-4,8,13,17-TETRAMETHYL-, (1R,1R,4S,4S)-(ALL-E)-

Systematic Name

English

CAPSORUBIN, ALL-TRANS-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID90101811