(Q104997246)

English

[(3aS,8S,9S,9aS,9bS)-9-hydroxy-6,9-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,9a,9b-hexahydroazuleno[4,5-b]furan-8-yl] 2-[(2S,4aS,8aR)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoate

chemical compound

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type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

494.266838936 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₃₈O₆

0 references

canonical SMILES

O=C(OC1C(=O)C2=C(C)CCC3C(=C)C(=O)OC3C2C1(O)C)C(=C)C4CCC5(C)CCCC(=C)C5C4

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isomeric SMILES

C=C(C(=O)O[C@@H]1C(=O)C2=C(C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@H]2[C@]1(C)O)[C@H]1CC[C@]2(C)CCCC(=C)[C@H]2C1

0 references

found in taxon

Podachaenium eminens

1 reference

stated in

Inhibition of the transcription factor NF-kappa B by sesquiterpene lactones from Podachaenium eminens

Identifiers

InChI

InChI=1S/C30H38O6/c1-15-8-7-12-29(5)13-11-19(14-21(15)29)17(3)27(32)36-26-24(31)22-16(2)9-10-20-18(4)28(33)35-25(20)23(22)30(26,6)34/h19-21,23,25-26,34H,1,3-4,7-14H2,2,5-6H3/t19-,20-,21 ,23-,25-,26 ,29-,30-/m0/s1

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InChIKey

FLMOJAVDPIWHCR-HBIADTFZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FLMOJAVDPIWHCR-HBIADTFZSA-N

(Q104997246)

[(3aS,8S,9S,9aS,9bS)-9-hydroxy-6,9-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,9a,9b-hexahydroazuleno[4,5-b]furan-8-yl] 2-[(2S,4aS,8aR)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoate

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Identifiers

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