(3a,16a,20S)-20-[(2S,5R)-5- methyl-2-piperidinyl]-Pregn-5-ene-3,16-diol
[CAS# 6785-55-3]

Identification

• Name: (3a,16a,20S)-20-[(2S,5R)-5- methyl-2-piperidinyl]-Pregn-5-ene-3,16-diol
• Synonyms: (3S,8S,9S,10R,13S,14S,16S)-10,13-Dimethyl-17-[(1S)-1-[(2R,5R)-5-Methyl-2-Piperidyl]Ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,16-Diol; (3S,8S,9S,10R,13S,14S,16S)-10,13-Dimethyl-17-[(1S)-1-[(2R,5R)-5-Methyl-2-Piperidinyl]Ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,16-Diol; 16,28-Secosolanid-5-Ene-3,16-Diol, (3Beta,16Beta,22Alpha,25Beta)-
• Molecular Formula: C₂₇H₄₅NO₂
• Molecular Weight: 415.66
• CAS Registry Number: 6785-55-3
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](O)CC2)C)CC[C@@]3(C([C@@H](O)C4)[C@@H]([C@@H]5NC[C@@H](CC5)C)C)C
• InChI: 1S/C27H45NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,28-30H,5,7-15H2,1-4H3/t16-,17-,19+,20-,21+,22+,23-,24+,25?,26+,27+/m1/s1
• InChIKey: IRRHFODGOMSPEE-YANNHQKLSA-N

Properties

• Density: 1.098g/cm³ (Cal.)
• Boiling point: 544.249°C at 760 mmHg (Cal.)
• Flash point: 58.956°C (Cal.)