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(Q105000844)
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English
(11S)-12,12-dimethyl-6-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),6-triene-4,5-dione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
6-isopropyl-12,12-dimethyltricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),6-triene-4,5-dione
1 reference
based on heuristic
inferred from SMILES
mass
298.193280072
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₆O₂
0 references
canonical SMILES
O=C1C(=O)C2=C(C=C1C(C)C)CCC3C(=CCCC3(C)C)C2
0 references
isomeric SMILES
CC(C)C1=CC2=C(CC3=CCCC(C)(C)[C@@H]3CC2)C(=O)C1=O
0 references
found in taxon
Plectranthus barbatus
1 reference
stated in
Isolation, structure determination, and absolute configuration of barbatusol, a new bioactive diterpene with a rearranged abietane skeleton from the labiate coleus barbatus
Coleus barbatus
1 reference
stated in
Isolation, structure determination, and absolute configuration of barbatusol, a new bioactive diterpene with a rearranged abietane skeleton from the labiate coleus barbatus
Identifiers
InChI
InChI=1S/C20H26O2/c1-12(2)15-10-13-7-8-17-14(6-5-9-20(17,3)4)11-16(13)19(22)18(15)21/h6,10,12,17H,5,7-9,11H2,1-4H3/t17-/m1/s1
0 references
InChIKey
FSRVLCXFRSBJGH-QGZVFWFLSA-N
0 references
PubChem CID
163072299
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FSRVLCXFRSBJGH-QGZVFWFLSA-N
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