(Q105215870)

English

[(3aS,6S,6aR,9aR,9bR)-6,9a-dimethyl-3-methylidene-2,9-dioxo-3a,4,5,6,6a,9b-hexahydroazuleno[4,5-b]furan-8-yl] 2-[(3aS,5R,8S,8aS)-3a,8-dimethyl-3-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-5-yl]prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(6,9a-Dimethyl-3-methylidene-2,9-dioxo-3a,4,5,6,6a,9b-hexahydroazuleno[4,5-b]furan-8-yl) 2-(3a,8-dimethyl-3-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-5-yl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

494.266838936 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₃₈O₆

0 references

canonical SMILES

O=C(OC1=CC2C(C)CCC3C(=C)C(=O)OC3C2(C1=O)C)C(=C)C4CCC(C)C5CCC(=O)C5(C)C4

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isomeric SMILES

C=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@@H]1C=C(OC(=O)C(=C)[C@@H]3CC[C@H](C)[C@@H]4CCC(=O)[C@@]4(C)C3)C(=O)[C@]12C

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found in taxon

Ambrosia hispida

2 references

stated in

Damsinic acid and ambrosanolides from vegetative ambrosia hispida

stated in

Damsinic acid and ambrosanolides from vegetative ambrosia hispida

Identifiers

InChI

InChI=1S/C30H38O6/c1-15-7-9-19(14-29(5)21(15)11-12-24(29)31)17(3)27(33)35-23-13-22-16(2)8-10-20-18(4)28(34)36-26(20)30(22,6)25(23)32/h13,15-16,19-22,26H,3-4,7-12,14H2,1-2,5-6H3/t15-,16-,19+,20-,21-,22-,26+,29-,30-/m0/s1

0 references

InChIKey

PWJFZARIWKCLLC-UQOQJSJZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PWJFZARIWKCLLC-UQOQJSJZSA-N

1 reference

(Q105215870)

[(3aS,6S,6aR,9aR,9bR)-6,9a-dimethyl-3-methylidene-2,9-dioxo-3a,4,5,6,6a,9b-hexahydroazuleno[4,5-b]furan-8-yl] 2-[(3aS,5R,8S,8aS)-3a,8-dimethyl-3-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-5-yl]prop-2-enoate

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Identifiers

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