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(Q105305227)
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English
(13S)-13-Hydroxy-19-acetoxylabda-8(20),14-diene
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
[5-(3-hydroxy-3-methylpent-4-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl acetate
1 reference
based on heuristic
inferred from SMILES
mass
348.266445012
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(1R,4aR,5S,8aR)-5-[(3R)-3-hydroxy-3-methylpent-4-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl acetate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₆O₃
0 references
canonical SMILES
O=C(OCC1(C)CCCC2(C)C(C(=C)CCC12)CCC(O)(C=C)C)C
0 references
isomeric SMILES
C=C[C@@](C)(O)CC[C@H]1C(=C)CC[C@H]2[C@@](C)(COC(C)=O)CCC[C@]12C
0 references
found in taxon
Cryptomeria japonica
1 reference
stated in
Labdanes from Cryptomeria japonica
Larix laricina
1 reference
stated in
New labdane diterpenes from the stem bark of Larix laricina
Identifiers
InChI
InChI=1S/C22H36O3/c1-7-21(5,24)14-11-18-16(2)9-10-19-20(4,15-25-17(3)23)12-8-13-22(18,19)6/h7,18-19,24H,1-2,8-15H2,3-6H3/t18-,19-,20+,21+,22+/m0/s1
0 references
InChIKey
WHCFTASMFFLYLQ-VNXMGFANSA-N
0 references
PubChem CID
101412320
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
100952759
1 reference
stated in
UniChem
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