(Q105180581)

English

(3aS)-3abeta,5,9abeta,9balpha-Tetrahydro-6,9-dimethyl-8-[2-[(2S,8aalpha)-4abeta-methyl-8-methylenedecalin-2-yl]acryloyloxy]-3-methyleneazuleno[4,5-b]furan-2,7(3H,4H)-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[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

476.256274252 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₃₆O₅

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canonical SMILES

O=C(OC=1C(=O)C2=C(C)CCC3C(=C)C(=O)OC3C2C1C)C(=C)C4CCC5(C)CCCC(=C)C5C4

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isomeric SMILES

C=C(C(=O)OC1=C(C)[C@H]2C(=C(C)CC[C@H]3C(=C)C(=O)O[C@@H]32)C1=O)[C@H]1CC[C@]2(C)CCCC(=C)[C@H]2C1

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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/C30H36O5/c1-15-8-7-12-30(6)13-11-20(14-22(15)30)17(3)28(32)34-26-19(5)24-23(25(26)31)16(2)9-10-21-18(4)29(33)35-27(21)24/h20-22,24,27H,1,3-4,7-14H2,2,5-6H3/t20-,21-,22 ,24-,27-,30-/m0/s1

0 references

InChIKey

NKGPIZLRWFGXLH-WQGZGRISSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105180581)

(3aS)-3abeta,5,9abeta,9balpha-Tetrahydro-6,9-dimethyl-8-[2-[(2S,8aalpha)-4abeta-methyl-8-methylenedecalin-2-yl]acryloyloxy]-3-methyleneazuleno[4,5-b]furan-2,7(3H,4H)-dione

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