4a,9-Epoxycevane-3b,4,7a,14,15a,16b,20-heptol
[CAS# 508-65-6]

Identification

• Name: 4a,9-Epoxycevane-3b,4,7a,14,15a,16b,20-heptol
• Synonyms: Cevane-3,4,7,14,15,16,20-Heptol, 4,9-Epoxyhydrochloride, (3Beta,4Alpha,7Alpha,15Alpha,16Beta)-; Cevane-3-Beta,4-Beta,7-Alpha,14,15-Alpha,16-Beta,20-Heptol, 4,9-Epoxy-, Hydrochloride; Germine Hydrochloride
• Molecular Formula: C₂₇H₄₄ClNO₈
• Molecular Weight: 546.10
• CAS Registry Number: 508-65-6
• SMILES: [C@]134O[C@@]2(O)C([C@@]1(CC[C@@H]2O)C)C[C@@H](O)C3[C@@]5(O)C(C4)C6C([C@@H](O)[C@@H]5O)[C@](O)([C@H]7[NH+](C6)C[C@H](CC7)C)C.[Cl-]
• InChI: 1S/C27H43NO8.ClH/c1-12-4-5-17-24(3,33)19-13(11-28(17)10-12)14-9-25-21(26(14,34)22(32)20(19)31)15(29)8-16-23(25,2)7-6-18(30)27(16,35)36-25;/h12-22,29-35H,4-11H2,1-3H3;1H/t12-,13?,14?,15+,16?,17-,18-,19?,20+,21?,22-,23-,24+,25+,26-,27-;/m0./s1
• InChIKey: JLXCGRYYCQIBKO-ADWSFURMSA-N

Properties

• Boiling point: 688.2°C at 760 mmHg (Cal.)
• Flash point: 370°C (Cal.)