(Q105225048)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

4-[(9E,11E,13E,15E,17E)-18-(5-hydroxy-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]-3,5,5-trimethylcyclohex-3-en-1-ol

1 reference

based on heuristic

inferred from SMILES

mass

568.428031032 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₆O₂

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canonical SMILES

OC1CC(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC2=C(C)CCC(O)C2(C)C)C)C)C)C)C(C)(C)C1)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)CC[C@@H](O)C2(C)C)C(C)(C)C[C@H](O)C1

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found in taxon

Acanthophora spicifera

1 reference

stated in

Occurrence of antheraxanthin in two rhodophyceae Acanthophora spicifera and Gracilaria lichenoides

Hydropuntia edulis

1 reference

stated in

Occurrence of antheraxanthin in two rhodophyceae Acanthophora spicifera and Gracilaria lichenoides

Gracilaria edulis

1 reference

stated in

Occurrence of antheraxanthin in two rhodophyceae Acanthophora spicifera and Gracilaria lichenoides

Identifiers

InChI

InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-24-36-34(6)27-35(41)28-39(36,7)8)15-11-12-16-30(2)18-14-20-32(4)22-25-37-33(5)23-26-38(42)40(37,9)10/h11-22,24-25,35,38,41-42H,23,26-28H2,1-10H3/b12-11+,17-13+,18-14+,24-21+,25-22+,29-15+,30-16+,31-19+,32-20+/t35-,38-/m1/s1

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InChIKey

QOPRSMDTRDMBNK-IMWCLGDQSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105225048)

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

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