(Q105225668)

English

[(3aR,4S,5R,6R,8Z,10R,11aR)-5,6-dihydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(5,6-Dihydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl) 3-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

380.183503236 dalton

1 reference

1 reference

[(3aS,4S,5R,6R,8Z,10R,11aR)-5,6-dihydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₇

0 references

canonical SMILES

O=C1OC2CC(C=CC(=O)C(O)(C)C(O)C(OC(=O)CC(C)C)C2C1=C)C

0 references

isomeric SMILES

C=C1C(=O)O[C@@H]2C[C@@H](C)/C=C\C(=O)[C@](C)(O)[C@H](O)[C@@H](OC(=O)CC(C)C)[C@H]12

0 references

found in taxon

Neurolaena macrocephala

1 reference

stated in

Germacranolide type sesquiterpene lactones from Neurolaena macrocephala

Neurolaena oaxacana

1 reference

stated in

Sesquiterpene lactones from neurolaena oaxacana

Identifiers

InChI

InChI=1S/C20H28O7/c1-10(2)8-15(22)27-17-16-12(4)19(24)26-13(16)9-11(3)6-7-14(21)20(5,25)18(17)23/h6-7,10-11,13,16-18,23,25H,4,8-9H2,1-3,5H3/b7-6-/t11-,13+,16+,17-,18+,20-/m0/s1

0 references

InChIKey

QPYBAPKWMFWJOS-SRFKJMKTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QPYBAPKWMFWJOS-SRFKJMKTSA-N

(Q105225668)

[(3aR,4S,5R,6R,8Z,10R,11aR)-5,6-dihydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate

Statements

Identifiers

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