(Q104918709)

English

[(3aS,4R,6S,9S,10Z,11aR)-6,9-dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

germacrane sesquiterpenoid

0 references

mass

364.188588616 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aR,4R,6S,9S,10Z,11aS)-6,9-dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₆

0 references

canonical SMILES

O=C(OC1CC(O)(C)CCC(O)C(=CC2OC(=O)C(=C)C21)C)C(=CC)C

0 references

isomeric SMILES

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

0 references

found in taxon

Aldama gilliesii

1 reference

stated in

Heliangolides and acyclic diterpene from Viguiera gilliesii

Identifiers

InChI

InChI=1S/C20H28O6/c1-6-11(2)18(22)26-16-10-20(5,24)8-7-14(21)12(3)9-15-17(16)13(4)19(23)25-15/h6,9,14-17,21,24H,4,7-8,10H2,1-3,5H3/b11-6+,12-9-/t14-,15+,16+,17+,20-/m0/s1

0 references

InChIKey

ATUPZONNYSDDBY-VCIXOTSMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ATUPZONNYSDDBY-VCIXOTSMSA-N

(Q104918709)

[(3aS,4R,6S,9S,10Z,11aR)-6,9-dihydroxy-6,10-dimethyl-3-methylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate

Statements

Identifiers

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