(10alpha)-2beta,16alpha,20,25-Tetrahydroxy-9beta-Methyl-19-Norlanosta-5-Ene-3,11,22-Trione
[CAS# 55903-92-9]

Identification

• Name: (10alpha)-2beta,16alpha,20,25-Tetrahydroxy-9beta-Methyl-19-Norlanosta-5-Ene-3,11,22-Trione
• Synonyms: (2S,8S,9R,10R,13R,14S,16R,17R)-17-[(1R)-1,5-Dihydroxy-1,5-Dimethyl-2-Oxo-Hexyl]-2,16-Dihydroxy-4,4,9,13,14-Pentamethyl-2,7,8,10,12,15,16,17-Octahydro-1H-Cyclopenta[A]Phenanthrene-3,11-Dione; (2S,8S,9R,10R,13R,14S,16R,17R)-17-[(1R)-1,5-Dihydroxy-1,5-Dimethyl-2-Oxohexyl]-2,16-Dihydroxy-4,4,9,13,14-Pentamethyl-2,7,8,10,12,15,16,17-Octahydro-1H-Cyclopenta[A]Phenanthrene-3,11-Dione; (2S,8S,9R,10R,13R,14S,16R,17R)-17-[(1R)-1,5-Dihydroxy-2-Keto-1,5-Dimethyl-Hexyl]-2,16-Dihydroxy-4,4,9,13,14-Pentamethyl-2,7,8,10,12,15,16,17-Octahydro-1H-Cyclopenta[A]Phenanthrene-3,11-Quinone
• Molecular Formula: C₃₀H₄₆O₇
• Molecular Weight: 518.69
• CAS Registry Number: 55903-92-9
• SMILES: [C@@]12([C@@]([C@@H]([C@](C(=O)CCC(O)(C)C)(O)C)[C@@H](C1)O)(CC([C@@]3([C@H]2CC=C4C(C(=O)[C@H](C[C@@H]34)O)(C)C)C)=O)C)C
• InChI: 1S/C30H46O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,17-20,23,31-32,36-37H,10-15H2,1-8H3/t17-,18+,19-,20+,23+,27+,28-,29+,30+/m1/s1
• InChIKey: ITMUUFDDBRYVNJ-VOKXYEOFSA-N

Properties

• Density: 1.228g/cm³ (Cal.)
• Boiling point: 682.616°C at 760 mmHg (Cal.)
• Flash point: 380.606°C (Cal.)