(Q105242600)

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] 3-acetyloxy-2-methylbutanoate

group of stereoisomers with the chemical formula C₃₁H₄₆O₁₃

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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

626.293841532 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₆O₁₃

0 references

canonical SMILES

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

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found in taxon

Ajuga chamaepitys

1 reference

stated in

Neo-clerodane diterpenoids from ajuga chamaepitys

Identifiers

InChI

InChI=1S/C31H46O13/c1-14-8-24(41-19(6)34)30(12-38-17(4)32)22(29(14,7)23-9-20-10-25(36)43-28(20)42-23)11-21(35)26(31(30)13-39-31)44-27(37)15(2)16(3)40-18(5)33/h14-16,20-26,28,35-36H,8-13H2,1-7H3

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InChIKey

RPBYNKFFNMBQPP-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RPBYNKFFNMBQPP-UHFFFAOYSA-N

(Q105242600)

[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] 3-acetyloxy-2-methylbutanoate

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Identifiers

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