(Q105331456)

English

[5-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl)-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] 2-methylbutanoate

group of stereoisomers with the chemical formula C₂₉H₄₄O₁₀

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Statements

instance of

group of stereoisomers

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subclass of

clerodane diterpenoid

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inferred from

clerodane diterpenoid

mass

552.2934476079997 dalton

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based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₄O₁₀

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canonical SMILES

O=C(OCC12C(OC(=O)C)CC(C)C(C)(C3OC4OCCC4C3)C2CC(O)C(OC(=O)C(C)CC)C51OC5)C

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found in taxon

Ajuga bracteosa

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stated in

neo-Clerodane diterpenoids from Ajuga bracteosa

Ajuga integrifolia

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stated in

neo-Clerodane diterpenoids from Ajuga bracteosa

Identifiers

InChI

InChI=1S/C29H44O10/c1-7-15(2)25(33)39-24-20(32)12-21-27(6,22-11-19-8-9-34-26(19)38-22)16(3)10-23(37-18(5)31)28(21,13-35-17(4)30)29(24)14-36-29/h15-16,19-24,26,32H,7-14H2,1-6H3

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InChIKey

XMVULWKEVGKECE-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XMVULWKEVGKECE-UHFFFAOYSA-N

1 reference

(Q105331456)

[5-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl)-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] 2-methylbutanoate

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Identifiers

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