(5S,8R,9S,10S,13S,14S,16R,17R)-17-Hydroxy-17-(2-Hydroxyacetyl)-10,13,1 6-Trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-One
[CAS# 81089-17-0]

Identification

• Name: (5S,8R,9S,10S,13S,14S,16R,17R)-17-Hydroxy-17-(2-Hydroxyacetyl)-10,13,1 6-Trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-One
• Synonyms: (5S,8R,9S,10S,13S,14S,16R,17R)-17-Hydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13,16-Trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-One; (5S,8R,9S,10S,13S,14S,16R,17R)-17-Glycoloyl-17-Hydroxy-10,13,16-Trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-One; (5S,8R,9S,10S,13S,14S,16R,17R)-17-Hydroxy-17-(2-Hydroxyethanoyl)-10,13,16-Trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₂₂H₃₄O₄
• Molecular Weight: 362.51
• CAS Registry Number: 81089-17-0
• SMILES: [C@H]12CC(CC[C@@]1([C@@H]4[C@@H](CC2)[C@@H]3C[C@H]([C@](C(CO)=O)([C@@]3(C)CC4)O)C)C)=O
• InChI: 1S/C22H34O4/c1-13-10-18-16-5-4-14-11-15(24)6-8-20(14,2)17(16)7-9-21(18,3)22(13,26)19(25)12-23/h13-14,16-18,23,26H,4-12H2,1-3H3/t13-,14+,16-,17+,18+,20+,21+,22+/m1/s1
• InChIKey: DOMKOXUGRSATCY-ILTSXOTMSA-N

Properties

• Density: 1.152g/cm³ (Cal.)
• Boiling point: 508.635°C at 760 mmHg (Cal.)
• Flash point: 275.502°C (Cal.)