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(Q83041595)
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(+)-12-Oxocalanolide A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
368.1623738679999
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
calanolide D
1 reference
based on heuristic
inferred from InChI
(-)-12-Oxocalanolide B
1 reference
based on heuristic
inferred from InChI
12-Oxocalanolide A
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₂₄O₅
0 references
canonical SMILES
CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)C(C)C3=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2C(=O)[C@@H]([C@H](O4)C)C
0 references
Identifiers
InChI
InChI=1S/C22H24O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12H,6-7H2,1-5H3/t11-,12-/m1/s1
0 references
InChIKey
HQVBDUZROQMWRN-VXGBXAGGSA-N
0 references
CAS Registry Number
183904-55-4
0 references
PubChem CID
463613
1 reference
matched by identifier from
InChIKey
InChIKey
HQVBDUZROQMWRN-VXGBXAGGSA-N
UniChem compound ID
373090
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70171519
1 reference
matched by identifier from
InChIKey
InChIKey
HQVBDUZROQMWRN-VXGBXAGGSA-N
DSSTOX compound identifier
DTXCID1094010
0 references
UNII
Z8MM7J5DWJ
1 reference
matched by identifier from
InChIKey
InChIKey
HQVBDUZROQMWRN-VXGBXAGGSA-N
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