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(Q105344613)
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English
8alpha-Hydroxy-15,16-epoxylabda-13(16),14-dien-12-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
labdanes
0 references
mass
318.21949482
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₃₀O₃
0 references
canonical SMILES
O=C(C1=COC=C1)CC2C(O)(C)CCC3C(C)(C)CCCC23C
0 references
isomeric SMILES
CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@](C)(O)[C@@H]2CC(=O)c1ccoc1
0 references
found in taxon
Baccharis scandens
1 reference
stated in
An unusual dimeric sesquiterpene and other constituents from Chilean Baccharis species
Nicotiana tomentosa
1 reference
stated in
Composition of the leaf surface gum of some Nicotiana species and Nicotiana tabacum cultivars
Identifiers
InChI
InChI=1S/C20H30O3/c1-18(2)8-5-9-19(3)16(18)6-10-20(4,22)17(19)12-15(21)14-7-11-23-13-14/h7,11,13,16-17,22H,5-6,8-10,12H2,1-4H3/t16-,17+,19-,20+/m0/s1
0 references
InChIKey
XYPOQXQUWBCURH-KVPLUYHFSA-N
0 references
PubChem CID
16733739
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XYPOQXQUWBCURH-KVPLUYHFSA-N
UniChem compound ID
32421657
1 reference
stated in
UniChem
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