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Lupan-3-one
[CAS# 3186-72-9]

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Identification
Name Lupan-3-one
Synonyms LUP-3-ONE
Molecular Structure CAS#: 3186-72-9, Lupan-3-one
Molecular Formula C30H50O
Molecular Weight 426.72
CAS Registry Number 3186-72-9
SMILES CC(C)[C@@H]4CC[C@]5(C)CC[C@]2(C)[C@H](CC[C@@H]1[C@@]3(C)CCC(=O)[C@@](C)(C)[C@@H]3CC[C@]12C)[C@@H]45
InChI 1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h19-23,25H,9-18H2,1-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1
InChIKey HEYPZYMGRBQTOH-BHMAJAPKSA-N
Properties
Density 0.964g/cm3 (Cal.)
Boiling point 479.101°C at 760 mmHg (Cal.)
Flash point 235.01°C (Cal.)
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