(3R,5R,7R,8R,9S,10S,12S,13R,14S)-3,7,12-Trihydroxy-17-[(2R)-6-(Hydroxymethyl)-7-Sulfooxy-Heptan-2-Yl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthrene
[CAS# 53939-18-7]

Identification

• Name: (3R,5R,7R,8R,9S,10S,12S,13R,14S)-3,7,12-Trihydroxy-17-[(2R)-6-(Hydroxymethyl)-7-Sulfooxy-Heptan-2-Yl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthrene
• Synonyms: [(6R)-2-Methylol-6-[(3R,5R,7R,8R,9S,10S,12S,13R,14S)-3,7,12-Trihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Heptyl] Hydrogen Sulfate; Brn 2609044; Carp Toxin
• Molecular Formula: C₂₇H₄₈O₈S
• Molecular Weight: 532.73
• CAS Registry Number: 53939-18-7
• SMILES: [C@H]13[C@@H]([C@@]2([C@@H](C[C@H]1O)C[C@H](O)CC2)C)C[C@H](O)[C@]4([C@H]3CCC4[C@@H](CCCC(CO[S](=O)(=O)O)CO)C)C
• InChI: 1S/C27H48O8S/c1-16(5-4-6-17(14-28)15-35-36(32,33)34)20-7-8-21-25-22(13-24(31)27(20,21)3)26(2)10-9-19(29)11-18(26)12-23(25)30/h16-25,28-31H,4-15H2,1-3H3,(H,32,33,34)/t16-,17?,18-,19-,20?,21+,22+,23-,24+,25+,26+,27-/m1/s1
• InChIKey: KAOLEMQCYWHOJQ-JCLZTNMTSA-N

Properties

• Density: 1.261g/cm³ (Cal.)