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(Q105349221)
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English
Caesaldekarin d
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(1,4a-dihydroxy-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-5-yl) acetate
1 reference
based on heuristic
inferred from SMILES
mass
376.224974124
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₂O₅
0 references
canonical SMILES
O=C(OC1CC2C(C=3C=COC3CC2C4(C)C(O)CCC(C)(C)C14O)C)C
0 references
isomeric SMILES
CC(=O)O[C@@H]1C[C@@H]2[C@H](Cc3occc3[C@@H]2C)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@]12O
0 references
found in taxon
Caesalpinia major
3 references
stated in
Indonesian Medicinal Plants. XI. Chemical Structures of Caesaldekarins a and b, Two New Cassane-Type Furanoditerpenes from the Roots of Caesalpinia major (Fabaceae).
stated in
Chemical Study of Indonesian Medicinal Plants
stated in
Q105011694
Identifiers
InChI
InChI=1S/C22H32O5/c1-12-14-7-9-26-17(14)11-16-15(12)10-19(27-13(2)23)22(25)20(3,4)8-6-18(24)21(16,22)5/h7,9,12,15-16,18-19,24-25H,6,8,10-11H2,1-5H3/t12-,15-,16-,18-,19+,21-,22+/m0/s1
0 references
InChIKey
YJFHKXMTSBXFEN-JCRJRGEQSA-N
0 references
PubChem CID
10762086
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YJFHKXMTSBXFEN-JCRJRGEQSA-N
UniChem compound ID
34061254
1 reference
stated in
UniChem
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