(Q105298412)

English

12a-hydroxy-9-{[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dien-1-yl]oxy}-2,3-dimethoxy-6,6a-dihydro-5,7-dioxatetraphen-12-one

group of stereoisomers with the chemical formula C₂₈H₃₂O₈

In more languages

Statements

group of stereoisomers

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2,6-dimethyloctane monoterpenoid

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2,6-dimethyloctane monoterpenoid

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496.2097179839999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₂O₈

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canonical SMILES

O=C1C2=CC=C(OCC=C(C)CC=CC(O)(C)C)C=C2OC3COC4=CC(OC)=C(OC)C=C4C13O

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isomeric SMILES

COc1cc2c(cc1OC)C1(O)C(=O)c3ccc(OC/C=C(\C)C/C=C/C(C)(C)O)cc3OC1CO2

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C28H32O8/c1-17(7-6-11-27(2,3)30)10-12-34-18-8-9-19-21(13-18)36-25-16-35-22-15-24(33-5)23(32-4)14-20(22)28(25,31)26(19)29/h6,8-11,13-15,25,30-31H,7,12,16H2,1-5H3/b11-6+,17-10+

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VXBXQMZYISYYKS-IKSBHEPWSA-N

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1 reference

matched by identifier from

VXBXQMZYISYYKS-IKSBHEPWSA-N

NMRShiftDB structure ID

1 reference

matched by identifier from

VXBXQMZYISYYKS-IKSBHEPWSA-N

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