16beta-Methyl-5alpha-delta 9(11)-Pregnene-3beta,17alpha,21-Triol-20-One-3beta,21-Diacetate
[CAS# 50633-44-8]

Identification

• Name: 16beta-Methyl-5alpha-delta 9(11)-Pregnene-3beta,17alpha,21-Triol-20-One-3beta,21-Diacetate
• Synonyms: [(3S,5S,8S,10S,13S,14S,16S,17R)-17-(2-Acetoxyacetyl)-17-Hydroxy-10,13,16-Trimethyl-1,2,3,4,5,6,7,8,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-3-Yl] Acetate; Acetic Acid [(3S,5S,8S,10S,13S,14S,16S,17R)-17-(2-Acetoxy-1-Oxoethyl)-17-Hydroxy-10,13,16-Trimethyl-1,2,3,4,5,6,7,8,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-3-Yl] Ester; Acetic Acid [(3S,5S,8S,10S,13S,14S,16S,17R)-17-(2-Acetoxyacetyl)-17-Hydroxy-10,13,16-Trimethyl-1,2,3,4,5,6,7,8,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-3-Yl] Ester
• Molecular Formula: C₂₆H₃₈O₆
• Molecular Weight: 446.58
• CAS Registry Number: 50633-44-8
• SMILES: [C@H]12[C@@]([C@](O)([C@H](C1)C)C(=O)COC(=O)C)(CC=C3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](OC(=O)C)C4)C)C
• InChI: 1S/C26H38O6/c1-15-12-22-20-7-6-18-13-19(32-17(3)28)8-10-24(18,4)21(20)9-11-25(22,5)26(15,30)23(29)14-31-16(2)27/h9,15,18-20,22,30H,6-8,10-14H2,1-5H3/t15-,18-,19-,20+,22-,24-,25-,26-/m0/s1
• InChIKey: LZDXFAIWUWCKMU-QLVSLZPCSA-N

Properties

• Density: 1.185g/cm³ (Cal.)
• Boiling point: 544.543°C at 760 mmHg (Cal.)
• Flash point: 174.774°C (Cal.)