(Q105221151)

English

(2R,6S,7aR)-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-2,4,4,7a-tetramethyl-6,7-dihydro-5H-1-benzofuran-6-ol

chemical compound

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instance of

type of chemical entity

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subclass of

2-[(2E,4E,6E,8E)-17-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-2,4,4,7a-tetramethyl-6,7-dihydro-5H-1-benzofuran-6-ol

1 reference

based on heuristic

inferred from SMILES

mass

598.438595716 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₅₈O₃

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canonical SMILES

OC1C=C(C)C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C)C2(OC3(C(=C2)C(C)(C)CC(O)C3)C)C)C)C)C)C(C)(C)C1

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isomeric SMILES

CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)[C@@]1(C)C=C2C(C)(C)C[C@H](O)C[C@@]2(C)O1

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found in taxon

Allium rotundum

1 reference

stated in

Carotinoids and amino acids from Allium rotundum

Identifiers

InChI

InChI=1S/C41H58O3/c1-29(18-14-19-31(3)22-23-36-32(4)24-34(42)25-38(36,6)7)16-12-13-17-30(2)20-15-21-33(5)40(10)28-37-39(8,9)26-35(43)27-41(37,11)44-40/h12-24,28,34-36,42-43H,25-27H2,1-11H3/b13-12+,18-14+,20-15+,23-22+,29-16+,30-17+,31-19+,33-21+/t34-,35-,36-,40+,41+/m0/s1

0 references

InChIKey

QHUMOJKEVAPSCY-KMMFBZCUSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105221151)

(2R,6S,7aR)-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-2,4,4,7a-tetramethyl-6,7-dihydro-5H-1-benzofuran-6-ol

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Identifiers

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