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(Q83030619)
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12-Methoxycalanolide A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
18-Methoxy-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one
1 reference
based on heuristic
inferred from SMILES
mass
384.193673996
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
12-Methoxycalanolide B
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₃H₂₈O₅
0 references
canonical SMILES
O=C1OC=2C(=C3OC(C=CC3=C4OC(C)C(C)C(OC)C24)(C)C)C(=C1)CCC
0 references
isomeric SMILES
CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2[C@H]([C@@H]([C@H](O4)C)C)OC
0 references
found in taxon
Calophyllum lanigerum
2 references
stated in
The calanolides, a novel HIV-inhibitory class of coumarin derivatives from the tropical rainforest tree, Calophyllum lanigerum
stated in
The calanolides, a novel HIV-inhibitory class of coumarin derivatives from the tropical rainforest tree, Calophyllum lanigerum
Identifiers
InChI
InChI=1S/C23H28O5/c1-7-8-14-11-16(24)27-22-17(14)21-15(9-10-23(4,5)28-21)20-18(22)19(25-6)12(2)13(3)26-20/h9-13,19H,7-8H2,1-6H3/t12-,13-,19+/m1/s1
0 references
InChIKey
KEWWSURXGADRPV-VPZZIHKRSA-N
0 references
CAS Registry Number
142566-60-7
0 references
PubChem CID
454255
1 reference
matched by identifier from
InChIKey
InChIKey
KEWWSURXGADRPV-VPZZIHKRSA-N
UniChem compound ID
136034
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50162086
1 reference
matched by identifier from
InChIKey
InChIKey
KEWWSURXGADRPV-VPZZIHKRSA-N
DSSTOX compound identifier
DTXCID4084577
0 references
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