Anhydroscymnol
[CAS# 567-68-0]

Identification

• Name: Anhydroscymnol
• Synonyms: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(1R)-3-[(2R)-3-(Hydroxymethyl)Oxetan-2-Yl]-1-Methyl-Propyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthrene-3,7,12-Triol; (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(1R)-3-[(2R)-3-(Hydroxymethyl)-2-Oxetanyl]-1-Methylpropyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthrene-3,7,12-Triol; (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-Dimethyl-17-[(1R)-1-Methyl-3-[(2R)-3-Methyloloxetan-2-Yl]Propyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthrene-3,7,12-Triol
• Molecular Formula: C₂₇H₄₆O₅
• Molecular Weight: 450.66
• CAS Registry Number: 567-68-0
• SMILES: [C@H]34[C@H]1[C@@]([C@H](CC1)[C@@H](CC[C@H]2OCC2CO)C)([C@@H](O)C[C@@H]3[C@@]5([C@H](C[C@H]4O)C[C@H](O)CC5)C)C
• InChI: 1S/C27H46O5/c1-15(4-7-23-16(13-28)14-32-23)19-5-6-20-25-21(12-24(31)27(19,20)3)26(2)9-8-18(29)10-17(26)11-22(25)30/h15-25,28-31H,4-14H2,1-3H3/t15-,16?,17+,18-,19-,20+,21+,22-,23-,24+,25+,26+,27-/m1/s1
• InChIKey: PRQADQZRIHRYCH-OOQSZNCVSA-N

Properties

• Density: 1.155g/cm³ (Cal.)
• Boiling point: 601.539°C at 760 mmHg (Cal.)
• Flash point: 317.599°C (Cal.)