Germitrine
[CAS# 560-48-5]

Identification

• Name: Germitrine
• Synonyms: Brn 0076383; Cevane-3-Beta,4-Beta,7-Alpha,14,15-Alpha,16-Beta,20-Heptol, 4,9-Epoxy-, 7-Acetat; Cevane-3-Beta,4-Beta,7-Alpha,14,15-Alpha,16-Beta,20-Heptol, 4,9-Epoxy-, 7-Acetate, 15-((+)-2-Hydroxy-2-Methylbutyrate) 3-((-)-2-Methylbutyrate)
• Molecular Formula: C₃₉H₆₁NO₁₂
• Molecular Weight: 735.91
• CAS Registry Number: 560-48-5
• SMILES: [C@]134O[C@@]2(O)C([C@@]1(CC[C@@H]2OC(=O)C(CC)C)C)C[C@@H](OC(=O)C)C3[C@@]5(O)C(C4)C6C([C@@H](O)[C@@H]5OC(=O)C(O)(CC)C)[C@](O)([C@H]7N(C6)C[C@H](CC7)C)C
• InChI: 1S/C39H61NO12/c1-9-20(4)32(43)50-27-13-14-34(6)25-15-24(49-21(5)41)30-37(34,52-39(25,27)48)16-23-22-18-40-17-19(3)11-12-26(40)36(8,46)28(22)29(42)31(38(23,30)47)51-33(44)35(7,45)10-2/h19-20,22-31,42,45-48H,9-18H2,1-8H3/t19-,20?,22?,23?,24+,25?,26-,27-,28?,29+,30?,31-,34-,35?,36+,37+,38-,39-/m0/s1
• InChIKey: LJPLLMYELFESAN-FLUUMLQVSA-N

Properties

• Density: 1.342g/cm³ (Cal.)
• Boiling point: 782.719°C at 760 mmHg (Cal.)
• Flash point: 427.173°C (Cal.)