(Q105241915)

English

2-[8-(acetyloxy)-4-hydroxy-8a-(hydroxymethyl)-5,6-dimethyl-hexahydro-2H-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2H-furan-3-yl)ethyl 2-methylbutanoate

group of stereoisomers with the chemical formula C₂₇H₄₀O₉

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instance of

group of stereoisomers

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subclass of

clerodane diterpenoid

1 reference

inferred from

clerodane diterpenoid

mass

508.26723285999975 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₀O₉

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canonical SMILES

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

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Identifiers

InChI

InChI=1S/C27H40O9/c1-6-15(2)24(32)36-20(18-10-22(31)33-12-18)11-25(5)16(3)9-21(35-17(4)29)27(13-28)23(25)19(30)7-8-26(27)14-34-26/h10,15-16,19-21,23,28,30H,6-9,11-14H2,1-5H3

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InChIKey

RNYBHVLREIXMCA-UHFFFAOYSA-N

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PubChem CID

14356974

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

RNYBHVLREIXMCA-UHFFFAOYSA-N

(Q105241915)

2-[8-(acetyloxy)-4-hydroxy-8a-(hydroxymethyl)-5,6-dimethyl-hexahydro-2H-spiro[naphthalene-1,2'-oxiran]-5-yl]-1-(5-oxo-2H-furan-3-yl)ethyl 2-methylbutanoate

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