(Q104991169)

English

[2-[4-acetyloxy-4a-(acetyloxymethyl)-1,2-dimethyl-8-(2-methylpropanoyloxy)spiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] 2-methylbutanoate

group of stereoisomers with the chemical formula C₃₃H₄₈O₁₁

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instance of

group of stereoisomers

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subclass of

clerodane diterpenoid

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inferred from

clerodane diterpenoid

mass

620.3196623559999 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₃H₄₈O₁₁

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canonical SMILES

O=C1OCC(=C1)C(OC(=O)C(C)CC)CC2(C)C(C)CC(OC(=O)C)C3(COC(=O)C)C2C(OC(=O)C(C)C)CCC43OC4

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Identifiers

InChI

InChI=1S/C33H48O11/c1-9-19(4)30(38)44-25(23-13-27(36)39-15-23)14-31(8)20(5)12-26(42-22(7)35)33(17-40-21(6)34)28(31)24(43-29(37)18(2)3)10-11-32(33)16-41-32/h13,18-20,24-26,28H,9-12,14-17H2,1-8H3

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InChIKey

DXRWSWJHXRJGBV-UHFFFAOYSA-N

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PubChem CID

162878876

1 reference

based on heuristic

inferred from InChIKey

(Q104991169)

[2-[4-acetyloxy-4a-(acetyloxymethyl)-1,2-dimethyl-8-(2-methylpropanoyloxy)spiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxirane]-1-yl]-1-(5-oxo-2H-furan-3-yl)ethyl] 2-methylbutanoate

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