(3R,6S,6aS,7R,7aS,10S,12aS,13R,13aR,14S,15R)-1-Ethyltetradecahydro-12a,14-Dihydroxy-6-Methoxy-3-Methyl-8H-13,3,6a-Ethanylylidene-7,10-Methanooxepino[3,4-i]-1-Benzazocin-8-One
[CAS# 3328-84-5]

Identification

• Name: (3R,6S,6aS,7R,7aS,10S,12aS,13R,13aR,14S,15R)-1-Ethyltetradecahydro-12a,14-Dihydroxy-6-Methoxy-3-Methyl-8H-13,3,6a-Ethanylylidene-7,10-Methanooxepino[3,4-i]-1-Benzazocin-8-One
• Synonyms: Aids016220; Aids-016220; 4:1A,6B.Heteratisane
• Molecular Formula: C₂₂H₃₃NO₅
• Molecular Weight: 391.51
• CAS Registry Number: 3328-84-5
• SMILES: [C@]136C2N(C[C@@]([C@H]1[C@@H]([C@@H]2[C@@]5([C@@H]4[C@H]3C[C@H](OC4=O)CC5)O)O)(CC[C@@H]6OC)C)CC
• InChI: 1S/C22H33NO5/c1-4-23-10-20(2)7-6-13(27-3)22-12-9-11-5-8-21(26,14(12)19(25)28-11)15(18(22)23)16(24)17(20)22/h11-18,24,26H,4-10H2,1-3H3/t11-,12-,13+,14-,15+,16-,17-,18?,20+,21-,22+/m1/s1
• InChIKey: YPSAOPXJHSESSR-ATENDURSSA-N

Properties

• Density: 1.334g/cm³ (Cal.)
• Boiling point: 583.234°C at 760 mmHg (Cal.)
• Flash point: 306.529°C (Cal.)