(Q110194156)

English

[4,5-dihydroxy-6-(hydroxymethyl)-2-[(4-hydroxy-3-methyl-6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-8-yl)oxy]oxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate

group of stereoisomers with the chemical formula C₃₀H₃₆O₁₂

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

588.220676592 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₀H₃₆O₁₂

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canonical SMILES

O=C(OC1C(OC2C(=C)C3C4OC(=O)C(C)C4C(O)CC(=C)C3C2)OC(CO)C(O)C1O)C=CC5=CC=C(O)C(O)=C5

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found in taxon

Ainsliaea fragrans

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stated in

Sesquiterpenes from Ainsliaea fragrans and their inhibitory activities against cyclooxygenases-1 and 2.

Identifiers

InChI

InChI=1S/C30H36O12/c1-12-8-19(34)24-14(3)29(38)42-27(24)23-13(2)20(10-16(12)23)39-30-28(26(37)25(36)21(11-31)40-30)41-22(35)7-5-15-4-6-17(32)18(33)9-15/h4-7,9,14,16,19-21,23-28,30-34,36-37H,1-2,8,10-11H2,3H3

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InChIKey

GTXJTCMGBHOAQX-UHFFFAOYSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q110194156)

[4,5-dihydroxy-6-(hydroxymethyl)-2-[(4-hydroxy-3-methyl-6,9-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-8-yl)oxy]oxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate

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