(Q105102380)

English

7-[2-(2-methoxy-5-oxo-2H-furan-4-yl)ethyl]-7,8-dimethyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one

group of stereoisomers with the chemical formula C₂₇H₃₈O₁₁

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Statements

instance of

group of stereoisomers

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subclass of

clerodane diterpenoid

1 reference

inferred from

clerodane diterpenoid

mass

538.241412036 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₈O₁₁

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canonical SMILES

O=C1OCC23C1=CC(OC4OC(CO)C(O)C(O)C4O)CC2C(C)(CCC5=CC(OC5=O)OC)C(C)CC3

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found in taxon

Salvia

1 reference

stated in

α-Glucosidase Inhibitors from Salvia circinata.

Salvia officinalis

1 reference

stated in

α-Glucosidase Inhibitors from Salvia circinata.

Identifiers

InChI

InChI=1S/C27H38O11/c1-13-4-7-27-12-35-24(33)16(27)9-15(36-25-22(31)21(30)20(29)17(11-28)37-25)10-18(27)26(13,2)6-5-14-8-19(34-3)38-23(14)32/h8-9,13,15,17-22,25,28-31H,4-7,10-12H2,1-3H3

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InChIKey

CETCIHSCOIXIKA-UHFFFAOYSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105102380)

7-[2-(2-methoxy-5-oxo-2H-furan-4-yl)ethyl]-7,8-dimethyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one

Statements

Identifiers

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