Scymnol
[CAS# 6785-34-8]

Identification

• Name: Scymnol
• Synonyms: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(1R,4R)-4,6-Dihydroxy-5-(Hydroxymethyl)-1-Methyl-Hexyl]-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,4R)-4,6-Dihydroxy-5-(Hydroxymethyl)-1-Methylhexyl]-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,4R)-4,6-Dihydroxy-1-Methyl-5-Methylol-Hexyl]-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
• Molecular Formula: C₂₇H₄₈O₆
• Molecular Weight: 468.67
• CAS Registry Number: 6785-34-8
• SMILES: [C@H]23[C@H]1[C@@]([C@H](CC1)[C@@H](CC[C@@H](O)C(CO)CO)C)([C@@H](O)C[C@@H]2[C@@]4([C@H](C[C@H]3O)C[C@H](O)CC4)C)C
• InChI: 1S/C27H48O6/c1-15(4-7-22(31)16(13-28)14-29)19-5-6-20-25-21(12-24(33)27(19,20)3)26(2)9-8-18(30)10-17(26)11-23(25)32/h15-25,28-33H,4-14H2,1-3H3/t15-,17+,18-,19-,20+,21+,22-,23-,24+,25+,26+,27-/m1/s1
• InChIKey: DIPHJTHZUWDJIK-JPLAUYQNSA-N

Properties

• Density: 1.193g/cm³ (Cal.)
• Boiling point: 661.114°C at 760 mmHg (Cal.)
• Flash point: 281.322°C (Cal.)