(Q105007463)

English

[(1R,2E,4S,6Z,9Z,11R)-4-[(3S)-3,4-dihydroxy-4-methylpentyl]-11-hydroxy-7-(hydroxymethyl)-4,11-dimethyl-8-oxocycloundeca-2,6,9-trien-1-yl] 3-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[4-(3,4-Dihydroxy-4-methylpentyl)-11-hydroxy-7-(hydroxymethyl)-4,11-dimethyl-8-oxocycloundeca-2,6,9-trien-1-yl] 3-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

450.261753556 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2E,4R,6Z,9E,11S)-4-[(3S)-3,4-dihydroxy-4-methylpentyl]-11-hydroxy-7-(hydroxymethyl)-4,11-dimethyl-8-oxocycloundeca-2,6,9-trien-1-yl] 3-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₂₅H₃₈O₇

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canonical SMILES

O=C(OC1C=CC(C)(CC=C(C(=O)C=CC1(O)C)CO)CCC(O)C(O)(C)C)C=C(C)C

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isomeric SMILES

CC(C)=CC(=O)O[C@@H]1/C=C/[C@@](C)(CC[C@H](O)C(C)(C)O)C/C=C(/CO)C(=O)/C=C\[C@@]1(C)O

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found in taxon

Viburnum odoratissimum var. awabuki

1 reference

stated in

New diterpenoids from Viburnum awabuki

Identifiers

InChI

InChI=1S/C25H38O7/c1-17(2)15-22(29)32-21-10-13-24(5,12-9-20(28)23(3,4)30)11-7-18(16-26)19(27)8-14-25(21,6)31/h7-8,10,13-15,20-21,26,28,30-31H,9,11-12,16H2,1-6H3/b13-10+,14-8-,18-7-/t20-,21+,24+,25+/m0/s1

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InChIKey

GFAQUYIQNBAVAL-LFNYBURLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GFAQUYIQNBAVAL-LFNYBURLSA-N

(Q105007463)

[(1R,2E,4S,6Z,9Z,11R)-4-[(3S)-3,4-dihydroxy-4-methylpentyl]-11-hydroxy-7-(hydroxymethyl)-4,11-dimethyl-8-oxocycloundeca-2,6,9-trien-1-yl] 3-methylbut-2-enoate

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