35-Amino-3-Methylbacteriohopane-30,31,32,33,34-Pentol
[CAS# 99541-80-7]

Identification

• Name: 35-Amino-3-Methylbacteriohopane-30,31,32,33,34-Pentol
• Synonyms: Ambhp; Octitol, 1-Amino-1,7,8-Trideoxy-7-((3Beta)-3-Methyl-A'-Neo-22,29,30-Trinorgammaceran-21-Yl)-
• Molecular Formula: C₃₆H₆₅NO₅
• Molecular Weight: 591.91
• CAS Registry Number: 99541-80-7
• SMILES: [C@@H]1(CC[C@]2([C@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)C)C)C)C)C)[C@@H]([C@H]([C@H]([C@H]([C@H]([C@H](CN)O)O)O)O)O)C
• InChI: 1S/C36H65NO5/c1-20-11-15-34(6)25(32(20,3)4)14-18-36(8)27(34)10-9-26-33(5)16-12-22(23(33)13-17-35(26,36)7)21(2)28(39)30(41)31(42)29(40)24(38)19-37/h20-31,38-42H,9-19,37H2,1-8H3/t20-,21-,22+,23-,24-,25-,26+,27+,28+,29-,30+,31-,33-,34-,35+,36+/m0/s1
• InChIKey: NYINOFIIAOPILH-DFPHJZBSSA-N

Properties

• Density: 1.093g/cm³ (Cal.)
• Boiling point: 711.141°C at 760 mmHg (Cal.)
• Flash point: 383.885°C (Cal.)