Cevine
[CAS# 124-98-1]

Identification

• Name: Cevine
• Synonyms: Cevane-3-Alpha,4-Beta,12,14,16-Beta,20-Heptol, 4,9-Epoxy-, Hydrochloride, Dihydrate; Cevine Hydrochloride Dihydrate; Cevane-3-Alpha,4-Beta,12,14,16-Beta,17,20-Heptol, 4,9-Epoxy-, Hydrochloride
• Molecular Formula: C₂₇H₄₄ClNO₈
• Molecular Weight: 546.10
• CAS Registry Number: 124-98-1
• EINECS: 204-720-8
• SMILES: [C@]134O[C@@]2(O)C([C@@]1(CC[C@H]2O)C)CCC3[C@@]5(O)[C@@](O)(C4)C6[C@](O)([C@@H](O)C5)[C@](O)([C@H]7[NH+](C6)C[C@H](CC7)C)C.[Cl-]
• InChI: 1S/C27H43NO8.ClH/c1-14-4-7-18-22(3,31)26(34)17(12-28(18)11-14)24(33)13-25-16(23(24,32)10-20(26)30)6-5-15-21(25,2)9-8-19(29)27(15,35)36-25;/h14-20,29-35H,4-13H2,1-3H3;1H/t14-,15?,16?,17?,18-,19+,20-,21-,22+,23+,24+,25+,26-,27-;/m0./s1
• InChIKey: BOPCVKJJANJMDO-IJLXEGJUSA-N

Properties

• Boiling point: 693.5°C at 760 mmHg (Cal.)
• Flash point: 373.2°C (Cal.)