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(17alpha)-20,29,30-Trinorlupane
[CAS# 55199-72-9]

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Identification
Name (17alpha)-20,29,30-Trinorlupane
Molecular Structure CAS#: 55199-72-9, (17alpha)-20,29,30-Trinorlupane
Molecular Formula C27H46
Molecular Weight 370.66
CAS Registry Number 55199-72-9
SMILES CC35C2(C(C1CCCC1(CC2)C)CCC3C4(CCCC(C4CC5)(C)C)C)C
InChI 1S/C27H46/c1-23(2)13-8-15-25(4)21(23)12-16-27(6)22(25)11-10-20-19-9-7-14-24(19,3)17-18-26(20,27)5/h19-22H,7-18H2,1-6H3
InChIKey XBNRGUOCXSKYLM-UHFFFAOYSA-N
Properties
Density 0.941g/cm3 (Cal.)
Boiling point 424.447°C at 760 mmHg (Cal.)
Flash point 201.698°C (Cal.)
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