Neogermbudine
[CAS# 595-64-2]

Identification

• Name: Neogermbudine
• Molecular Formula: C₃₇H₅₉NO₁₂
• Molecular Weight: 709.87
• CAS Registry Number: 595-64-2
• SMILES: [C@@H]1(CC[C@]2(C3[C@]1(O)OC27[C@@H]([C@@H](C3)O)C6([C@H]([C@@H]([C@@H]5[C@@](C)([C@@H]4CC[C@H](C)CN4C[C@H]5[C@@H]6C7)O)O)OC([C@@H](CC)C)=O)O)C)OC([C@@]([C@@H](C)O)(C)O)=O
• InChI: 1S/C37H59NO12/c1-8-18(3)30(42)49-29-27(41)26-20(16-38-15-17(2)9-10-24(38)34(26,7)45)21-14-35-28(36(21,29)46)22(40)13-23-32(35,5)12-11-25(37(23,47)50-35)48-31(43)33(6,44)19(4)39/h17-29,39-41,44-47H,8-16H2,1-7H3/t17-,18+,19+,20-,21-,22+,23?,24-,25-,26+,27+,28+,29-,32-,33-,34+,35?,36?,37-/m0/s1
• InChIKey: LWSPRPDSPCBAKK-KFQWNRGESA-N

Properties

• Density: 1.396g/cm³ (Cal.)
• Boiling point: 827.831°C at 760 mmHg (Cal.)
• Flash point: 454.456°C (Cal.)