21-Hydroxy-4-Pregnene-3,20-Dione 21-Glucoside
[CAS# 4319-56-6]

Identification

• Name: 21-Hydroxy-4-Pregnene-3,20-Dione 21-Glucoside
• Synonyms: (8S,9S,10R,13S,14S)-10,13-Dimethyl-17-[2-(1,2,3,6-Tetrahydroxy-4-Oxo-Hexoxy)Acetyl]-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; (8S,9S,10R,13S,14S)-10,13-Dimethyl-17-[1-Oxo-2-(1,2,3,6-Tetrahydroxy-4-Oxohexoxy)Ethyl]-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; (8S,9S,10R,13S,14S)-10,13-Dimethyl-17-[2-(1,2,3,6-Tetrahydroxy-4-Keto-Hexoxy)Acetyl]-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₂₇H₄₀O₈
• Molecular Weight: 492.61
• CAS Registry Number: 4319-56-6
• EINECS: 224-349-5
• SMILES: [C@H]24[C@H]1[C@@](C(CC1)C(=O)COC(O)C(O)C(O)C(=O)CCO)(CC[C@@H]2[C@@]3(C(=CC(=O)CC3)CC4)C)C
• InChI: 1S/C27H40O8/c1-26-10-7-16(29)13-15(26)3-4-17-18-5-6-20(27(18,2)11-8-19(17)26)22(31)14-35-25(34)24(33)23(32)21(30)9-12-28/h13,17-20,23-25,28,32-34H,3-12,14H2,1-2H3/t17-,18-,19-,20?,23?,24?,25?,26-,27-/m0/s1
• InChIKey: HUTNPQPIOVKRIJ-OKGJNCRBSA-N

Properties

• Density: 1.298g/cm³ (Cal.)
• Boiling point: 731.127°C at 760 mmHg (Cal.)
• Flash point: 241.72°C (Cal.)