(3S,8S,9S,10R,13S,14S,16S,17R)-17-[(1S)-1-[(2R,5R)-5-Hydroxy-1,5-Dimethylpiperidin-2-Yl]Ethyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-3,16-Diol
[CAS# 131984-89-9]

Identification

• Name: (3S,8S,9S,10R,13S,14S,16S,17R)-17-[(1S)-1-[(2R,5R)-5-Hydroxy-1,5-Dimethylpiperidin-2-Yl]Ethyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-3,16-Diol
• Synonyms: (3S,8S,9S,10R,13S,14S,16S,17R)-17-[(1S)-1-[(2R,5R)-5-Hydroxy-1,5-Dimethyl-2-Piperidyl]Ethyl]-10,13-Dimethyl-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,17R)-17-[(1S)-1-[(2R,5R)-5-Hydroxy-1,5-Dimethyl-2-Piperidinyl]Ethyl]-10,13-Dimethyl-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,17R)-17-[(1S)-1-[(2R,5R)-5-Hydroxy-1,5-Dimethyl-Piperidin-2-Yl]Ethyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,16-Diol
• Molecular Formula: C₂₈H₄₇NO₃
• Molecular Weight: 445.68
• CAS Registry Number: 131984-89-9
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](O)CC2)C)CC[C@@]3([C@H]([C@@H](O)C4)[C@@H]([C@@H]5N(C[C@](O)(CC5)C)C)C)C
• InChI: 1S/C28H47NO3/c1-17(23-10-11-26(2,32)16-29(23)5)25-24(31)15-22-20-7-6-18-14-19(30)8-12-27(18,3)21(20)9-13-28(22,25)4/h6,17,19-25,30-32H,7-16H2,1-5H3/t17-,19+,20-,21+,22+,23-,24+,25+,26-,27+,28+/m1/s1
• InChIKey: JTBAWWCDNDKCDH-NCGAYPANSA-N

Properties

• Density: 1.141g/cm³ (Cal.)
• Boiling point: 569.369°C at 760 mmHg (Cal.)
• Flash point: 266.634°C (Cal.)