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(Q104399290)
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Caesalpinin K
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(4a,6-dihydroxy-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-1-yl) acetate
1 reference
based on heuristic
inferred from SMILES
mass
376.224974124
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(1S,4aR,6S,6aS,7S,11aS,11bS)-4a,6-dihydroxy-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-1-yl] acetate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₂O₅
0 references
canonical SMILES
O=C(OC1CCC(C)(C)C2(O)CC(O)C3C(C=4C=COC4CC3C12C)C)C
0 references
isomeric SMILES
CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)C[C@H](O)[C@@H]3[C@H](Cc4occc4[C@@H]3C)[C@@]12C
0 references
found in taxon
Caesalpinia crista
4 references
stated in
New Cassane-Type Diterpenes of Caesalpinia crista from Myanmar.
stated in
Constituents of Caesalpinia crista from Indonesia
stated in
Constituents of Caesalpinia crista from Indonesia
stated in
New cassane-type diterpenes of Caesalpinia crista from Myanmar
Caesalpinia minax
2 references
stated in
Molecular structures and antiviral activities of naturally occurring and modified cassane furanoditerpenoids and friedelane triterpenoids from Caesalpinia minax
stated in
Anti-inflammation furanoditerpenoids from Caesalpinia minax Hance
Guilandina bonduc
1 reference
stated in
Cassane furanoditerpenoids from the seed kernels of Caesalpinia bonduc from Thailand
Identifiers
InChI
InChI=1S/C22H32O5/c1-12-14-7-9-26-17(14)10-15-19(12)16(24)11-22(25)20(3,4)8-6-18(21(15,22)5)27-13(2)23/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
UAUZSKBZFMNDSP-SBCRORLOSA-N
0 references
PubChem CID
11523688
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UAUZSKBZFMNDSP-SBCRORLOSA-N
UniChem compound ID
32068294
1 reference
stated in
UniChem
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