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Bacchotricuneatin A
[CAS# 65596-25-0]

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CAS#: 65596-25-0
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Identification
Name Bacchotricuneatin A
Synonyms Bacchotricuneatin A; Nsc299115
Molecular Structure CAS#: 65596-25-0, Bacchotricuneatin A
Molecular Formula C20H22O5
Molecular Weight 342.39
CAS Registry Number 65596-25-0
SMILES C5=C(C4OC(=O)C3C(C1C2(C(=CCC1)C(OC2)=O)CC3)(C4)C)C=CO5
InChI 1S/C20H22O5/c1-19-9-15(12-6-8-23-10-12)25-18(22)13(19)5-7-20-11-24-17(21)14(20)3-2-4-16(19)20/h3,6,8,10,13,15-16H,2,4-5,7,9,11H2,1H3
InChIKey BLXXJMVVAYFKDR-UHFFFAOYSA-N
Properties
Density 1.312g/cm3 (Cal.)
Boiling point 587.08°C at 760 mmHg (Cal.)
Flash point 308.855°C (Cal.)
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