(5xi,7alpha,8xi,9xi,10xi,12xi,13xi,15alpha,17xi,22xi,25xi)-4,7,14,15,20-Pentahydroxy-4,9-Epoxycevane-3,16-Diyl Diacetate
[CAS# 24381-53-1]

Identification

• Name: (5xi,7alpha,8xi,9xi,10xi,12xi,13xi,15alpha,17xi,22xi,25xi)-4,7,14,15,20-Pentahydroxy-4,9-Epoxycevane-3,16-Diyl Diacetate
• Synonyms: Cevane-3,4,7,14,15,16,20-heptol, 4,9-epoxy-, 3,16-diacetate, (3β,4α,7α,15α,16β)-; Germine-3,16-diacetate
• Molecular Formula: C₃₁H₄₇NO₁₀
• Molecular Weight: 593.71
• CAS Registry Number: 24381-53-1
• SMILES: O=C(OC5[C@H](O)[C@@]4(O)C2C1(OC3(O)C(OC(=O)C)CCC1(C)C3C[C@H]2O)CC4C7C5[C@@](O)(C)C6N(CC(C)CC6)C7)C
• InChI: 1S/C31H47NO10/c1-14-6-7-21-28(5,37)23-17(13-32(21)12-14)18-11-29-25(30(18,38)26(36)24(23)41-16(3)34)19(35)10-20-27(29,4)9-8-22(40-15(2)33)31(20,39)42-29/h14,17-26,35-39H,6-13H2,1-5H3/t14?,17?,18?,19-,20?,21?,22?,23?,24?,25?,26+,27?,28-,29?,30+,31?/m1/s1
• InChIKey: LDTMLMHQMYAMSL-PCHANGAHSA-N

Properties

• Density: 1.425g/cm³ (Cal.)
• Boiling point: 696.342°C at 760 mmHg (Cal.)
• Flash point: 374.934°C (Cal.)
• Refractive index: 1.629 (Cal.)