(Q105183130)

English

(2Z,4E,6E,8E,10E)-19-(3,4-dihydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3-hydroxy-1-(4-hydroxy-1,2,2-trimethylcyclopentyl)-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one

group of stereoisomers with the chemical formula C₄₀H₅₆O₅

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instance of

group of stereoisomers

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616.412774892 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₆O₅

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canonical SMILES

O=C(C=C(O)C(=CC=CC(=CC=CC=C(C=CC=C(C=CC1=C(C)C(O)C(O)CC1(C)C)C)C)C)C)C2(C)CC(O)CC2(C)C

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isomeric SMILES

CC(C=CC1=C(C)C(O)C(O)CC1(C)C)=CC=CC(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)C1(C)CC(O)CC1(C)C

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Structure of new carotenoids with a 3,4-dihydroxy-beta-end group from the oyster Crassostrea gigas

Identifiers

InChI

InChI=1S/C40H56O5/c1-27(17-13-18-29(3)21-22-33-31(5)37(45)35(43)26-38(33,6)7)15-11-12-16-28(2)19-14-20-30(4)34(42)23-36(44)40(10)25-32(41)24-39(40,8)9/h11-23,32,35,37,41-43,45H,24-26H2,1-10H3/b12-11+,17-13?,19-14+,22-21?,27-15?,28-16+,29-18?,30-20+,34-23-

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InChIKey

NPMBGQREVDOWDW-MREUKDSXSA-N

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(Q105183130)

(2Z,4E,6E,8E,10E)-19-(3,4-dihydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3-hydroxy-1-(4-hydroxy-1,2,2-trimethylcyclopentyl)-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one

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