(Q105232166)

English

[(3aR,8S,8aS,9R,9aR)-8-acetyloxy-5,8a-dimethyl-1-methylidene-2-oxo-4,6,7,8,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-9-yl] 2-methylpropanoate

chemical compound

In more languages

Statements

type of chemical entity

0 references

(8-acetyloxy-5,8a-dimethyl-1-methylidene-2-oxo-4,6,7,8,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-9-yl) 2-methylpropanoate

1 reference

based on heuristic

inferred from SMILES

376.188588616 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₈O₆

0 references

canonical SMILES

O=C1OC2CC(=C3CCC(OC(=O)C)C3(C)C(OC(=O)C(C)C)C2C1=C)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2CC(C)=C3CC[C@H](OC(C)=O)[C@@]3(C)[C@H](OC(=O)C(C)C)[C@H]12

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Wedelia grandiflora

1 reference

Pseudoguaianolides from Wedelia grandiflora

Identifiers

InChI=1S/C21H28O6/c1-10(2)19(23)27-18-17-12(4)20(24)26-15(17)9-11(3)14-7-8-16(21(14,18)6)25-13(5)22/h10,15-18H,4,7-9H2,1-3,5-6H3/t15-,16+,17-,18-,21+/m1/s1

0 references

QZMGWKYDRYCVCR-KSZKVXGTSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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