(Q105271237)

English

[8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5-(5-methoxy-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 C₃₀H₄₆O₁₁

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Statements

instance of

group of stereoisomers

0 references

subclass of

clerodane diterpenoid

1 reference

inferred from

clerodane diterpenoid

mass

582.3040122919998 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₆O₁₁

0 references

canonical SMILES

O=C(OCC12C(OC(=O)C)CC(C)C(C)(C3OC4OC(OC)CC4C3)C2CC(O)C(OC(=O)C(C)CC)C51OC5)C

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found in taxon

Ajuga bracteosa

4 references

stated in

neo-Clerodane diterpenoids from Ajuga bracteosa

stated in

Cholinesterase-inhibiting withanolides from Ajuga bracteosa

stated in

Neo-Clerodane Diterpenes from Ajuga turkestanica

stated in

Anti-inflammatory effect of Ajuga bracteosa Wall Ex Benth. mediated through cyclooxygenase (COX) inhibition

Ajuga integrifolia

4 references

stated in

neo-Clerodane diterpenoids from Ajuga bracteosa

stated in

Cholinesterase-inhibiting withanolides from Ajuga bracteosa

stated in

Anti-inflammatory effect of Ajuga bracteosa Wall Ex Benth. mediated through cyclooxygenase (COX) inhibition

stated in

Neo-Clerodane Diterpenes from Ajuga turkestanica

Identifiers

InChI

InChI=1S/C30H46O11/c1-8-15(2)26(34)41-25-20(33)12-21-28(6,22-10-19-11-24(35-7)40-27(19)39-22)16(3)9-23(38-18(5)32)29(21,13-36-17(4)31)30(25)14-37-30/h15-16,19-25,27,33H,8-14H2,1-7H3

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InChIKey

UEZOFWAZJUOMCN-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UEZOFWAZJUOMCN-UHFFFAOYSA-N

(Q105271237)

[8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5-(5-methoxy-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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