(14beta,17R)-3beta,5beta,14,19,21-Pentahydroxypregnan-20-One 21-Acrylate 3,19-Diacetate
[CAS# 67463-05-2]

Identification

• Name: (14beta,17R)-3beta,5beta,14,19,21-Pentahydroxypregnan-20-One 21-Acrylate 3,19-Diacetate
• Synonyms: [2-[(3S,5S,8R,9S,10R,13R,14S,17R)-3-Acetoxy-10-(Acetoxymethyl)-5,14-Dihydroxy-13-Methyl-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Prop-2-Enoate; Prop-2-Enoic Acid [2-[(3S,5S,8R,9S,10R,13R,14S,17R)-3-Acetoxy-10-(Acetoxymethyl)-5,14-Dihydroxy-13-Methyl-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Acrylic Acid [2-[(3S,5S,8R,9S,10R,13R,14S,17R)-3-Acetoxy-10-(Acetoxymethyl)-5,14-Dihydroxy-13-Methyl-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₈H₄₀O₉
• Molecular Weight: 520.62
• CAS Registry Number: 67463-05-2
• SMILES: [C@@H]1(CC[C@]3([C@@](C1)(CC[C@H]4[C@]2(CC[C@@H](C(COC(C=C)=O)=O)[C@@]2(C)CC[C@H]34)O)O)COC(=O)C)OC(=O)C
• InChI: 1S/C28H40O9/c1-5-24(32)35-15-23(31)22-9-13-28(34)21-8-12-27(33)14-19(37-18(3)30)6-11-26(27,16-36-17(2)29)20(21)7-10-25(22,28)4/h5,19-22,33-34H,1,6-16H2,2-4H3/t19-,20-,21+,22-,25+,26-,27-,28-/m0/s1
• InChIKey: YSBWPWHDJNENGC-FZIBMAEXSA-N

Properties

• Desity: 1.267g/cm³ (Cal.)
• Boiling point: 607.137°C at 760 mmHg (Cal.)
• Flash point: 191.858°C (Cal.)