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English
12-Oxocalanolide A
chemical compound
trans-10,11-Dihydro-6,6,10,11-tetramethyl-4-propyl-2H,6H,12H-benzo[1,2-b:3,4-b':5,6-b'']tripyran-2,12-dione
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
368.162373868
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(-)-12-Oxocalanolide B
1 reference
based on heuristic
inferred from InChI
calanolide D
1 reference
based on heuristic
inferred from InChI
(+)-12-Oxocalanolide A
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₂₄O₅
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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
CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)O[C@H](C)[C@@H](C)C3=O
1 reference
based on heuristic
inferred from InChI
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
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InChIKey
HQVBDUZROQMWRN-VXGBXAGGSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
161753-49-7
0 references
DSSTox substance ID
DTXSID70171519
1 reference
matched by identifier from
InChIKey
InChIKey
HQVBDUZROQMWRN-VXGBXAGGSA-N
UNII
Z8MM7J5DWJ
1 reference
matched by identifier from
InChIKey
InChIKey
HQVBDUZROQMWRN-VXGBXAGGSA-N
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