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(Q110193861)
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English
[(1S,2R,3R,4S,10S)-2-hydroxy-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-4-yl] 2-methylbut-2-enoate
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
336.230059504
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
8-O-Tigloylshiromodiol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(1R,2R,3S,4S,6E,10S)-2-hydroxy-6,10-dimethyl-3-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-4-yl] (Z)-2-methylbut-2-enoate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₂O₄
0 references
canonical SMILES
O=C(OC1CC(=CCCC2(OC2C(O)C1C(C)C)C)C)C(=CC)C
0 references
isomeric SMILES
CC=C(C)C(=O)O[C@H]1CC(C)=CCC[C@]2(C)O[C@H]2[C@H](O)[C@H]1C(C)C
0 references
found in taxon
Thapsia villosa
1 reference
stated in
A phenylpropanoid, a slovenolide, two sulphur-containing germacranes and Ca2+-ATPase inhibitors from Thapsia villosa
Identifiers
InChI
InChI=1S/C20H32O4/c1-7-14(5)19(22)23-15-11-13(4)9-8-10-20(6)18(24-20)17(21)16(15)12(2)3/h7,9,12,15-18,21H,8,10-11H2,1-6H3/t15-,16-,17+,18-,20-/m0/s1
0 references
InChIKey
ULRHOYLBAZFSHH-JNIAIEOXSA-N
0 references
PubChem CID
162960699
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ULRHOYLBAZFSHH-JNIAIEOXSA-N
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