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(Q115949868)
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English
(3S,3aS,7S,9S,10E,11aS)-7,9-dihydroxy-3,10-dimethyl-6-methylidene-3,3a,4,5,7,8,9,11a-octahydrocyclodeca[b]furan-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
germacrane sesquiterpenoid
1 reference
based on heuristic
inferred from SMILES
mass
266.151809184
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3R,3aS,7R,9S,10Z,11aS)-7,9-dihydroxy-3,10-dimethyl-6-methylidene-3,3a,4,5,7,8,9,11a-octahydrocyclodeca[b]furan-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3S,3aS,7R,9S,10Z,11aS)-7,9-dihydroxy-3,10-dimethyl-6-methylidene-3,3a,4,5,7,8,9,11a-octahydrocyclodeca[b]furan-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
1alpha,3beta-Dihydroxy-7alpha,11betaH-germacra-4Z,10(14)-dien-12,6alpha-olide
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3S,3aS,7R,9S,10E,11aS)-7,9-dihydroxy-3,10-dimethyl-6-methylidene-3,3a,4,5,7,8,9,11a-octahydrocyclodeca[b]furan-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Dihydroridentin
1 reference
based on heuristic
inferred from InChI
(3S,3aS,7R,9R,10E,11aS)-7,9-dihydroxy-3,10-dimethyl-6-methylidene-3,3a,4,5,7,8,9,11a-octahydrocyclodeca[b]furan-2-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O₄
0 references
canonical SMILES
O=C1OC2C=C(C)C(O)CC(O)C(=C)CCC2C1C
0 references
isomeric SMILES
C=C1CC[C@H]2[C@H](C)C(=O)O[C@@H]2/C=C(\C)[C@@H](O)C[C@@H]1O
0 references
found in taxon
Tanacetum sinaicum
2 references
stated in
2,3-Secogermacranolides and germacranolides from Pyrethrum santolionoides
stated in
Anti-inflammatory sesquiterpenes from the medicinal herb Tanacetum sinaicum
Identifiers
InChI
InChI=1S/C15H22O4/c1-8-4-5-11-10(3)15(18)19-14(11)6-9(2)13(17)7-12(8)16/h6,10-14,16-17H,1,4-5,7H2,2-3H3/b9-6+/t10-,11-,12-,13-,14+/m0/s1
0 references
InChIKey
LLPYDSMSNNUQCD-VIRWYYHKSA-N
0 references
PubChem CID
162923863
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LLPYDSMSNNUQCD-VIRWYYHKSA-N
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