(6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-2-Methylheptanal
[CAS# 78801-18-0]

Identification

• Name: (6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]-2-Methylheptanal
• Synonyms: (6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Methyl-Heptanal; (6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Methyl-Enanthaldehyde; 3-Hydroxycholestan-27-Al
• Molecular Formula: C₂₇H₄₆O₂
• Molecular Weight: 402.66
• CAS Registry Number: 78801-18-0
• SMILES: [C@H]1(CC[C@]3([C@@H](C1)CC[C@H]4[C@@H]2CC[C@H]([C@@H](CCCC(C=O)C)C)[C@@]2(C)CC[C@H]34)C)O
• InChI: 1S/C27H46O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h17-25,29H,5-16H2,1-4H3/t18?,19-,20-,21-,22+,23-,24+,25+,26+,27-/m1/s1
• InChIKey: KIVMAQXIDUADTM-RKOYIKFYSA-N

Properties

• Density: 0.998g/cm³ (Cal.)
• Boiling point: 503.078°C at 760 mmHg (Cal.)
• Flash point: 213.109°C (Cal.)