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(Q104998129)
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English
Caesaldekarin g
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
cassane diterpenoid
0 references
mass
364.224974124
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₂O₅
0 references
canonical SMILES
O=C1C(=C(C)C2CCC3(O)C(C(=O)OC)(C)CCCC3(C)C2C1)CCO
0 references
isomeric SMILES
COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]3CC(=O)C(CCO)=C(C)[C@@H]3CC[C@@]12O
0 references
found in taxon
Caesalpinia bonducella
1 reference
stated in
Cassane diterpenes from Caesalpinia bonducella
Guilandina bonduc
1 reference
stated in
Cassane diterpenes from Caesalpinia bonducella
Identifiers
InChI
InChI=1S/C21H32O5/c1-13-14-6-10-21(25)19(2,8-5-9-20(21,3)18(24)26-4)16(14)12-17(23)15(13)7-11-22/h14,16,22,25H,5-12H2,1-4H3/t14-,16-,19+,20+,21-/m0/s1
0 references
InChIKey
FMXLUDDVSRJLED-KXLDAGHISA-N
0 references
PubChem CID
15381601
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
FMXLUDDVSRJLED-KXLDAGHISA-N
UniChem compound ID
96518708
1 reference
stated in
UniChem
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