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(Q104914128)
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Caesaldekarin A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(4a-hydroxy-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
360.230059504
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(4aS,5R,6aR,7S,11aR,11bS)-4a-hydroxy-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-5-yl] acetate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(4aR,5R,6aS,7S,11aS,11bR)-4a-hydroxy-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 InChI
chemical formula
C₂₂H₃₂O₄
0 references
canonical SMILES
O=C(OC1CC2C(C=3C=COC3CC2C4(C)CCCC(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)CCCC(C)(C)[C@]12O
0 references
found in taxon
Caesalpinia major
2 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
Caesalpinia pulcherrima
2 references
stated in
A New Furanoid Diterpene from Caesalpinia pulcherrima
stated in
A New Furanoid Diterpene from Caesalpinia pulcherrima.
Caesalpinia bonducella
1 reference
stated in
Cassane and Norcassane Diterpenoids of Caesalpinia bonduc
Guilandina bonduc
2 references
stated in
Cassane and Norcassane Diterpenoids of Caesalpinia bonduc
stated in
Minor cassane diterpenoids of caesalpinia bonduc
Identifiers
InChI
InChI=1S/C22H32O4/c1-13-15-7-10-25-18(15)12-17-16(13)11-19(26-14(2)23)22(24)20(3,4)8-6-9-21(17,22)5/h7,10,13,16-17,19,24H,6,8-9,11-12H2,1-5H3/t13-,16-,17-,19+,21+,22+/m0/s1
0 references
InChIKey
ALHFWFVPZTXDOE-WKPPJLGDSA-N
0 references
PubChem CID
10383930
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ALHFWFVPZTXDOE-WKPPJLGDSA-N
UniChem compound ID
32048789
1 reference
stated in
UniChem
NMRShiftDB structure ID
20174046
1 reference
matched by identifier from
InChIKey
InChIKey
ALHFWFVPZTXDOE-WKPPJLGDSA-N
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