(Q110172817)

English

[8-acetyloxy-8a-(acetyloxymethyl)-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-methylpropanoate

group of stereoisomers with the chemical formula C₂₈H₄₂O₁₀

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

538.277797544 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₄₂O₁₀

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canonical SMILES

O=C(OCC12C(OC(=O)C)CC(C)C(C)(C3OC4OC(O)CC4C3)C2CCC(OC(=O)C(C)C)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/C28H42O10/c1-14(2)24(32)36-20-8-7-19-26(6,21-10-18-11-23(31)38-25(18)37-21)15(3)9-22(35-17(5)30)27(19,12-33-16(4)29)28(20)13-34-28/h14-15,18-23,25,31H,7-13H2,1-6H3

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InChIKey

SGUPXQYJFIEPOK-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SGUPXQYJFIEPOK-UHFFFAOYSA-N

(Q110172817)

[8-acetyloxy-8a-(acetyloxymethyl)-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-methylpropanoate

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Identifiers

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