(Q105179765)

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] 3-methylbutanoate

chemical compound

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type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

390.20423868 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₀O₆

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canonical SMILES

O=C1OC2CC(=C3CCC(OC(=O)C)C3(C)C(OC(=O)CC(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)CC(C)C)[C@H]12

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found in taxon

Wedelia grandiflora

1 reference

stated in

Pseudoguaianolides from Wedelia grandiflora

Identifiers

InChI

InChI=1S/C22H30O6/c1-11(2)9-18(24)28-20-19-13(4)21(25)27-16(19)10-12(3)15-7-8-17(22(15,20)6)26-14(5)23/h11,16-17,19-20H,4,7-10H2,1-3,5-6H3/t16-,17+,19-,20-,22+/m1/s1

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InChIKey

NIDWPWZFCXNRLD-POGPBNCUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NIDWPWZFCXNRLD-POGPBNCUSA-N

(Q105179765)

[(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] 3-methylbutanoate

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Identifiers

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