(Q105248810)

English

[8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5-(5-hydroxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-2-yl)-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 C₂₉H₄₄O₁₁

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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

568.288362228 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₄O₁₁

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canonical SMILES

O=C(OCC12C(OC(=O)C)CC(C)C(C)(C3OC4OC(O)CC4C3)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

1 reference

stated in

neo-Clerodane diterpenoids from Ajuga bracteosa

Identifiers

InChI

InChI=1S/C29H44O11/c1-7-14(2)25(34)40-24-19(32)11-20-27(6,21-9-18-10-23(33)39-26(18)38-21)15(3)8-22(37-17(5)31)28(20,12-35-16(4)30)29(24)13-36-29/h14-15,18-24,26,32-33H,7-13H2,1-6H3

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InChIKey

SAENNVULKVVZSO-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SAENNVULKVVZSO-UHFFFAOYSA-N

(Q105248810)

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

Statements

Identifiers

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