(Q105329275)

English

(5S,6R)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R,5R)-4,5-dihydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-5,6-dihydroxy-2,4,4-trimethylcyclohex-2-en-1-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-[(1E,3E,5E,7E,9E)-18-(4,5-dihydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-5,6-dihydroxy-2,4,4-trimethylcyclohex-2-en-1-one

1 reference

based on heuristic

inferred from SMILES

3-[18-(4,5-Dihydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-5,6-dihydroxy-2,4,4-trimethylcyclohex-2-en-1-one

1 reference

based on heuristic

inferred from SMILES

mass

614.397124828 dalton

1 reference

1 reference

(2R,3S,2'R,3'R)-2,3,2',3'-tetrahydroxy-beta,beta-caroten-4-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₀H₅₄O₅

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canonical SMILES

O=C1C(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC2=C(C)CC(O)C(O)C2(C)C)C)C)C)C)C(C)(C)C(O)C1O)C

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isomeric SMILES

CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@H](O)[C@@H](O)C2(C)C)C(C)(C)[C@@H](O)[C@H](O)C1

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found in taxon

Rhizobium lupini

1 reference

stated in

Carotenoids of rhizobia. I. New carotenoids from Rhizobium lupini

Bradyrhizobium

1 reference

stated in

Carotenoids of rhizobia. I. New carotenoids from Rhizobium lupini

Identifiers

InChI

InChI=1S/C40H54O5/c1-26(17-13-19-28(3)21-23-32-30(5)25-34(41)37(44)39(32,7)8)15-11-12-16-27(2)18-14-20-29(4)22-24-33-31(6)35(42)36(43)38(45)40(33,9)10/h11-24,34,36-38,41,43-45H,25H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,26-15+,27-16+,28-19+,29-20+/t34-,36+,37+,38-/m1/s1

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InChIKey

XJWXMPXLYUAWJI-IDKVPLMNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XJWXMPXLYUAWJI-IDKVPLMNSA-N

(Q105329275)

(5S,6R)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R,5R)-4,5-dihydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-5,6-dihydroxy-2,4,4-trimethylcyclohex-2-en-1-one

Statements

Identifiers

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