(Q123342026)

English

(5Z,2S,2'S)-2,2'-Bis-(3-hydroxy-3-methylbutyl)-3,4,3',4'-tetrahydro-1,2,1',2'-tetrahydro-psi,psi-carotene-1,1'-diol

chemical compound

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instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

740.574360912 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

(5S,6E,8E,10E,12E,14E,16E,18E,20Z,22E,24E,26E,28E,30E,32S)-5,32-bis(2-hydroxypropan-2-yl)-2,8,12,16,21,25,29,35-octamethylhexatriaconta-6,8,10,12,14,16,18,20,22,24,26,28,30-tridecaene-2,35-diol

2 references

based on heuristic

inferred from InChIKey

1 reference

(5S,6E,8E,10E,12E,14E,16E,18E,20E,22E,24Z,26E,28E,30E,32S)-5,32-bis(2-hydroxypropan-2-yl)-2,8,12,16,21,25,29,35-octamethylhexatriaconta-6,8,10,12,14,16,18,20,22,24,26,28,30-tridecaene-2,35-diol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₅₀H₇₆O₄

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C=CC=C(C)C=CC=C(C)C=CC(CCC(C)(C)O)C(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC(CCC(C)(C)O)C(C)(C)O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H](CCC(O)(C)C)C(C)(O)C)=C(\C)/C=C/[C@H](CCC(O)(C)C)C(C)(C)O

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Identifiers

InChI

InChI=1S/C50H76O4/c1-39(23-17-25-41(3)27-19-29-43(5)31-33-45(49(11,12)53)35-37-47(7,8)51)21-15-16-22-40(2)24-18-26-42(4)28-20-30-44(6)32-34-46(50(13,14)54)36-38-48(9,10)52/h15-34,45-46,51-54H,35-38H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,28-20+,33-31+,34-32+,39-21+,40-22+,41-25+,42-26+,43-29-,44-30+/t45-,46-/m1/s1

1 reference

based on heuristic

inferred from SMILES

InChIKey

UVCQMCCIAHQDAF-CWYPKRLBSA-N

1 reference

1 reference

inferred from InChIKey

LIPID MAPS ID

LMPR01080033

0 references

(Q123342026)

(5Z,2S,2'S)-2,2'-Bis-(3-hydroxy-3-methylbutyl)-3,4,3',4'-tetrahydro-1,2,1',2'-tetrahydro-psi,psi-carotene-1,1'-diol

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