(Q105150547)

English

[(3aS,4S,5R,6S,10R,11S,11aR)-4,10-dihydroxy-6,10-dimethyl-3-methylidene-11-(2-methylpropanoyloxy)-2,9-dioxo-3a,4,5,6,7,8,11,11a-octahydrocyclodeca[b]furan-5-yl] 2-methylpropanoate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

[4,10-Dihydroxy-6,10-dimethyl-3-methylidene-11-(2-methylpropanoyloxy)-2,9-dioxo-3a,4,5,6,7,8,11,11a-octahydrocyclodeca[b]furan-5-yl] 2-methylpropanoate

1 reference

based on heuristic

inferred from SMILES

mass

454.220282668 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aS,4S,5S,6S,10R,11S,11aR)-4,10-dihydroxy-6,10-dimethyl-3-methylidene-11-(2-methylpropanoyloxy)-2,9-dioxo-3a,4,5,6,7,8,11,11a-octahydrocyclodeca[b]furan-5-yl] 2-methylpropanoate

2 references

based on heuristic

inferred from InChIKey

1 reference

C₂₃H₃₄O₉

0 references

canonical SMILES

O=C1OC2C(OC(=O)C(C)C)C(O)(C(=O)CCC(C)C(OC(=O)C(C)C)C(O)C2C1=C)C

0 references

isomeric SMILES

C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H](OC(=O)C(C)C)[C@@H](C)CCC(=O)[C@](C)(O)[C@H]2OC(=O)C(C)C

0 references

found in taxon

Duhaldea cuspidata

1 reference

stated in

Further ineupatorolide-like germacranolides from Inula cuspidata

Identifiers

InChI

InChI=1S/C23H34O9/c1-10(2)20(26)30-17-12(5)8-9-14(24)23(7,29)19(32-21(27)11(3)4)18-15(16(17)25)13(6)22(28)31-18/h10-12,15-19,25,29H,6,8-9H2,1-5,7H3/t12-,15-,16-,17+,18+,19-,23-/m0/s1

0 references

InChIKey

LEFVAHAOTFBSKA-BQKRIGGPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LEFVAHAOTFBSKA-BQKRIGGPSA-N

(Q105150547)

[(3aS,4S,5R,6S,10R,11S,11aR)-4,10-dihydroxy-6,10-dimethyl-3-methylidene-11-(2-methylpropanoyloxy)-2,9-dioxo-3a,4,5,6,7,8,11,11a-octahydrocyclodeca[b]furan-5-yl] 2-methylpropanoate

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