5alpha,14alpha,17beta,22beta-Cevanine-20beta-Hydroxyl-3beta-O-beta-D-Glucoside
[CAS# 143120-88-1]

Identification

• Name: 5alpha,14alpha,17beta,22beta-Cevanine-20beta-Hydroxyl-3beta-O-beta-D-Glucoside
• Synonyms: Cevan-6-One, 3-(Beta-D-Glucopyranosyloxy)-20-Hydroxy-, (3Beta,5Alpha,17Beta,22Beta)-
• Molecular Formula: C₃₃H₅₃NO₈
• Molecular Weight: 591.78
• CAS Registry Number: 143120-88-1
• SMILES: [C@@H]1(CC[C@]5([C@H](C1)C(C[C@H]6[C@@H]4CC[C@H]3[C@@](C)([C@@H]2CC[C@H](C)CN2C[C@H]3[C@@H]4C[C@H]56)O)=O)C)O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@H](O7)CO
• InChI: 1S/C33H53NO8/c1-16-4-7-27-33(3,40)22-6-5-18-19(21(22)14-34(27)13-16)11-23-20(18)12-25(36)24-10-17(8-9-32(23,24)2)41-31-30(39)29(38)28(37)26(15-35)42-31/h16-24,26-31,35,37-40H,4-15H2,1-3H3/t16-,17-,18+,19+,20-,21-,22+,23-,24+,26+,27-,28+,29-,30+,31+,32+,33-/m0/s1
• InChIKey: DHQFYEJMFMYGCV-DLJWJMOOSA-N

Properties

• Density: 1.323g/cm³ (Cal.)
• Boiling point: 742.685°C at 760 mmHg (Cal.)
• Flash point: 402.962°C (Cal.)