Heteroxanthin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H56O4
Molecular Weight	600.8702
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	8
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=ZEXQVPRPMQVOFT-DGDOQUKGSA-N

InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40(44)38(8,9)27-35(42)28-39(40,10)43/h11-20,23-24,34-35,41-44H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40-/m1/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	8
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:59:14 GMT 2023` Edited by `admin` on `Sat Dec 16 15:59:14 GMT 2023`
Record UNII	NV766TWA77
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Heteroxanthin

Common Name

English

α-Carotene, 7,8-didehydro-4′,5′-dihydro-3,3′,5′,6′-tetrahydroxy-, all-trans-

Common Name

English

(3S,3′R,5R,6R)-7′,8′-Didehydro-5,6-dihydro-3,3′,5,6-tetrahydroxy-β,β-carotene

Systematic Name

English

(1R,2R,4S)-1-[(1E,3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15-octaen-17-ynyl]-2,6,6-trimethylcyclohexane-1,2,4-triol

Systematic Name

English

β,β-Carotene, 7′,8′-didehydro-5,6-dihydro-3,3′,5,6-tetrahydroxy-, (3S,3′R,5R,6R)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID701138928

Created by admin on Sat Dec 16 15:59:14 GMT 2023 , Edited by admin on Sat Dec 16 15:59:14 GMT 2023

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FDA UNII

NV766TWA77

Created by admin on Sat Dec 16 15:59:14 GMT 2023 , Edited by admin on Sat Dec 16 15:59:14 GMT 2023

PRIMARY

PUBCHEM

102146782

Created by admin on Sat Dec 16 15:59:14 GMT 2023 , Edited by admin on Sat Dec 16 15:59:14 GMT 2023

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CAS

29488-00-4

Created by admin on Sat Dec 16 15:59:14 GMT 2023 , Edited by admin on Sat Dec 16 15:59:14 GMT 2023

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