Mytiloxanthin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H54O4
Molecular Weight	598.8544
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	8
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=WSLGBPCJDUQFND-BBPSKTQQSA-N

InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36(43)24-37(44)40(10)27-34(42)26-39(40,8)9/h11-20,24,33-34,41-43H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,36-24-/t33-,34+,40+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C40H54O4
Molecular Weight	598.8544
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
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	V7SW593FSE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Mytiloxanthin

Common Name

English

(2Z,4E,6E,8E,10E,12E,14E,16E)-3-Hydroxy-19-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethyl-2,4,6,8,10,12,14,16-nonadecaoctaen-18-yn-1-one

Systematic Name

English

2,4,6,8,10,12,14,16-Nonadecaoctaen-18-yn-1-one, 3-hydroxy-19-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-1-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-4,8,13,17-tetramethyl-, (2Z,4E,6E,8E,10E,12E,14E,16E)-

Systematic Name

English

β,κ-Caroten-6′-one, 7,8-didehydro-3,3′,8′-trihydroxy-, (3R,3′S,5′R)-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID80109826

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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PUBCHEM

11365423

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

V7SW593FSE

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

50906-61-1

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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