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(Q105215377)
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English
(8R,9S,10beta,13E)-18-Hydroxycleroda-3,13-diene-15-oic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
clerodane diterpenoid
0 references
mass
320.235144884
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₃₂O₃
0 references
canonical SMILES
O=C(O)C=C(C)CCC1(C)C(C)CCC2(C(=CCCC21)C)CO
0 references
isomeric SMILES
CC1=CCC[C@@H]2[C@@](C)(CC/C(C)=C/C(=O)O)[C@H](C)CC[C@]12CO
0 references
found in taxon
Haplopappus deserticola
1 reference
stated in
Clerodane diterpenes from Haplopappus deserticola
Identifiers
InChI
InChI=1S/C20H32O3/c1-14(12-18(22)23)8-10-19(4)15(2)9-11-20(13-21)16(3)6-5-7-17(19)20/h6,12,15,17,21H,5,7-11,13H2,1-4H3,(H,22,23)/b14-12+/t15-,17-,19+,20+/m1/s1
0 references
InChIKey
PVBKHWHXNRGSBL-CMOYGFMLSA-N
0 references
PubChem CID
15894420
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PVBKHWHXNRGSBL-CMOYGFMLSA-N
UniChem compound ID
96795197
1 reference
stated in
UniChem
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