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3-Ketoaphidicolin
[CAS# 82026-06-0]

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CAS#: 82026-06-0
Product: 3-Ketoaphidicolin
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Identification
Name 3-Ketoaphidicolin
Synonyms Nsc346198
Molecular Structure CAS#: 82026-06-0, 3-Ketoaphidicolin
Molecular Formula C20H32O4
Molecular Weight 336.47
CAS Registry Number 82026-06-0
SMILES C(C3(C4CC1C(C2(C(CC1)C(C(CC2)=O)(C)CO)C)(CC3)C4)O)O
InChI 1S/C20H32O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-15,21-22,24H,3-12H2,1-2H3
InChIKey PCKFULMONJBMIR-UHFFFAOYSA-N
Properties
Density 1.224g/cm3 (Cal.)
Boiling point 506.895°C at 760 mmHg (Cal.)
Flash point 274.451°C (Cal.)
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