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Solanocapsine
[CAS# 639-86-1]

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Identification
Name Solanocapsine
Synonyms Nsc102622; Aids-012190; Aids012190
Molecular Structure CAS#: 639-86-1, Solanocapsine
Molecular Formula C27H46N2O2
Molecular Weight 430.67
CAS Registry Number 639-86-1
SMILES [C@]24([C@H]([C@@H]1CC[C@@H]3[C@@]([C@H]1CC2)(CC[C@H](N)C3)C)C[C@H]5O[C@@]6([C@@H]([C@H]([C@H]45)C)NC[C@H](C)C6)O)C
InChI 1S/C27H46N2O2/c1-15-13-27(30)24(29-14-15)16(2)23-22(31-27)12-21-19-6-5-17-11-18(28)7-9-25(17,3)20(19)8-10-26(21,23)4/h15-24,29-30H,5-14,28H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22-,23+,24-,25+,26+,27+/m1/s1
InChIKey ZPTJKUUQUDRHTL-QAQRTNARSA-N
Properties
Density 1.1±0.1g/cm3 (Cal.)
Boiling point 545.8±35.0°C at 760 mmHg (Cal.)
Flash point 283.9±25.9°C (Cal.)
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