(6R)-6-[(5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-Dihydroxy-10,13-Dimethyl-3-Oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl]-2-Methylheptanal
[CAS# 78094-13-0]

Identification

• Name: (6R)-6-[(5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-Dihydroxy-10,13-Dimethyl-3-Oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl]-2-Methylheptanal
• Synonyms: (6R)-6-[(5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-Dihydroxy-10,13-Dimethyl-3-Oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Methyl-Heptanal; (6R)-6-[(5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-Dihydroxy-3-Keto-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-2-Methyl-Enanthaldehyde; 7,12-Dohoca
• Molecular Formula: C₂₇H₄₄O₄
• Molecular Weight: 432.64
• CAS Registry Number: 78094-13-0
• SMILES: [C@@H]4([C@@H](CCCC(C=O)C)C)[C@@]3([C@H]([C@@H]2[C@@H](C[C@@H]1CC(CC[C@@]1([C@H]2C[C@@H]3O)C)=O)O)CC4)C
• InChI: 1S/C27H44O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h15-18,20-25,30-31H,5-14H2,1-4H3/t16?,17-,18+,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
• InChIKey: WDNCFNNWKSWQLA-SSGCBCEYSA-N

Properties

• Density: 1.09g/cm³ (Cal.)
• Boiling point: 567.046°C at 760 mmHg (Cal.)
• Flash point: 310.789°C (Cal.)