(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-Dihydroxy-13-Methyl-17-(6-Oxopyran-3-Yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-10-Carbaldehyde
[CAS# 72947-90-1]

Identification

• Name: (3S,5S,8R,9S,10S,13R,14S,17R)-5,14-Dihydroxy-13-Methyl-17-(6-Oxopyran-3-Yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-10-Carbaldehyde
• Synonyms: (3S,5S,8R,9S,10S,13R,14S,17R)-5,14-Dihydroxy-13-Methyl-17-(6-Oxopyran-3-Yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-10-Carbaldehyde; (3S,5S,8R,9S,10S,13R,14S,17R)-5,14-Dihydroxy-13-Methyl-17-(6-Oxo-3-Pyranyl)-3-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-10-Carboxaldehyde; (3S,5S,8R,9S,10S,13R,14S,17R)-5,14-Dihydroxy-17-(6-Ketopyran-3-Yl)-13-Methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-10-Carbaldehyde
• Molecular Formula: C₃₀H₄₂O₁₁
• Molecular Weight: 578.66
• CAS Registry Number: 72947-90-1
• SMILES: [C@]25([C@@]([C@@H](C1=COC(C=C1)=O)CC2)(CC[C@@H]6[C@]4(CC[C@H](O[C@H]3[C@@H]([C@@H](O)[C@@H]([C@H](O3)CO)O)O)C[C@]4(CC[C@@H]56)O)C=O)C)O
• InChI: 1S/C30H42O11/c1-27-8-5-19-20(30(27,38)11-7-18(27)16-2-3-22(33)39-14-16)6-10-29(37)12-17(4-9-28(19,29)15-32)40-26-25(36)24(35)23(34)21(13-31)41-26/h2-3,14-15,17-21,23-26,31,34-38H,4-13H2,1H3/t17-,18+,19-,20+,21+,23+,24-,25+,26+,27+,28-,29-,30-/m0/s1
• InChIKey: AXUYMUBJXHVZEL-DBOUUHTQSA-N

Properties

• Density: 1.464g/cm³ (Cal.)
• Boiling point: 803.195°C at 760 mmHg (Cal.)
• Flash point: 260.661°C (Cal.)