(Q105000229)

English

(3aR)-1,4beta-Dimethyl-6beta-(propanoyloxy)-7beta-(1-acetoxy-1-methylethyl)-2,3,3abeta,4,5,6,7,8-octahydroazulene-2-one

chemical compound

In more languages

default for all languages

No label defined

No description defined

Statements

type of chemical entity

0 references

[5-(2-acetyloxypropan-2-yl)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-6-yl] propanoate

1 reference

based on heuristic

inferred from SMILES

350.20932406 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₀O₅

0 references

canonical SMILES

O=C(OC(C)(C)C1CC2=C(C(=O)CC2C(C)CC1OC(=O)CC)C)C

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isomeric SMILES

CCC(=O)O[C@@H]1C[C@H](C)[C@H]2CC(=O)C(C)=C2C[C@@H]1C(C)(C)OC(C)=O

0 references

Torilis japonica

1 reference

New Guaiane Sesquiterpenes from the Fruits of Torilis japonica

Identifiers

InChI=1S/C20H30O5/c1-7-19(23)24-18-8-11(2)14-10-17(22)12(3)15(14)9-16(18)20(5,6)25-13(4)21/h11,14,16,18H,7-10H2,1-6H3/t11-,14+,16-,18+/m0/s1

0 references

FRKUVKGUKRMCGL-LSJNVOPQSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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