1-[(2S)-2-[(3S,8S,9S,10R,13S,14S,17R)-3-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Pentan-3-Yl]Oxy-3,10-Dihydrophenoxazin-2-One
[CAS# 135212-24-7]

Identification

• Name: 1-[(2S)-2-[(3S,8S,9S,10R,13S,14S,17R)-3-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Pentan-3-Yl]Oxy-3,10-Dihydrophenoxazin-2-One
• Synonyms: 1-[(2S)-1-Ethyl-2-[(3S,8S,9S,10R,13S,14S,17R)-3-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Propoxy]-3,10-Dihydrophenoxazin-2-One; 22-((3-Oxophenoxazin-7-Yl)Oxy)-5-Cholen-3Beta-Ol; 22-Phenoxazonoxy-5-Cholene-3Beta-Ol
• Molecular Formula: C₃₆H₄₇NO₄
• Molecular Weight: 557.77
• CAS Registry Number: 135212-24-7
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](O)CC2)C)CC[C@@]3([C@H](CC4)[C@@H](C(OC6=C5NC7=C(OC5=CCC6=O)C=CC=C7)CC)C)C
• InChI: 1S/C36H47NO4/c1-5-30(41-34-29(39)14-15-32-33(34)37-28-8-6-7-9-31(28)40-32)21(2)25-12-13-26-24-11-10-22-20-23(38)16-18-35(22,3)27(24)17-19-36(25,26)4/h6-10,15,21,23-27,30,37-38H,5,11-14,16-20H2,1-4H3/t21-,23-,24-,25+,26-,27-,30?,35-,36+/m0/s1
• InChIKey: CVZICIUHKUXMCS-BSZLDPMNSA-N

Properties

• Density: 1.206g/cm³ (Cal.)
• Boiling point: 669.525°C at 760 mmHg (Cal.)
• Flash point: 358.716°C (Cal.)