(Q105160519)

English

(3,6,7-triacetyloxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl) 3-methylsulfanylpropanoate

group of stereoisomers with the chemical formula C₂₅H₃₄O₁₀S

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Statements

instance of

group of stereoisomers

0 references

subclass of

guaiane sesquiterpenoid

1 reference

inferred from

guaiane sesquiterpenoid

mass

526.187268288 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₄O₁₀S

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canonical SMILES

O=C(OC1C=C(C)C2C3OC(=O)C(OC(=O)C)(C)C3C(OC(=O)CCSC)CC(OC(=O)C)(C)C12)C

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found in taxon

Thapsia villosa

1 reference

stated in

A phenylpropanoid, a slovenolide, two sulphur-containing germacranes and Ca2+-ATPase inhibitors from Thapsia villosa

Identifiers

InChI

InChI=1S/C25H34O10S/c1-12-10-16(31-13(2)26)20-19(12)22-21(25(6,23(30)33-22)35-15(4)28)17(32-18(29)8-9-36-7)11-24(20,5)34-14(3)27/h10,16-17,19-22H,8-9,11H2,1-7H3

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InChIKey

MATQUFYCAAXNHA-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MATQUFYCAAXNHA-UHFFFAOYSA-N

(Q105160519)

(3,6,7-triacetyloxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl) 3-methylsulfanylpropanoate

Statements

Identifiers

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