(3R,5S,10S,13R,14S,17R)-3-[[(3aR,6R)-4-Methyl-2-Phenyl-2-Propyl-4,6,7,7a-Tetrahydro-3aH-[1,3]Dioxolo[4,5-d]Pyran-6-Yl]Oxy]-5,14-Dihydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-10-Carbaldehyde
[CAS# 35919-82-5]

Identification

• Name: (3R,5S,10S,13R,14S,17R)-3-[[(3aR,6R)-4-Methyl-2-Phenyl-2-Propyl-4,6,7,7a-Tetrahydro-3aH-[1,3]Dioxolo[4,5-d]Pyran-6-Yl]Oxy]-5,14-Dihydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-10-Carbaldehyde
• Synonyms: (3R,5S,10S,13R,14S,17R)-3-[[(3Ar,6R)-4-Methyl-2-Phenyl-2-Propyl-4,6,7,7A-Tetrahydro-3Ah-[1,3]Dioxolo[4,5-D]Pyran-6-Yl]Oxy]-5,14-Dihydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-10-Carboxaldehyde; (3R,5S,10S,13R,14S,17R)-3-[[(3Ar,6R)-4-Methyl-2-Phenyl-2-Propyl-4,6,7,7A-Tetrahydro-3Ah-[1,3]Dioxolo[4,5-D]Pyran-6-Yl]Oxy]-5,14-Dihydroxy-17-(5-Keto-2H-Furan-3-Yl)-13-Methyl-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-10-Carbaldehyde; Fg 274
• Molecular Formula: C₃₉H₅₂O₉
• Molecular Weight: 664.83
• CAS Registry Number: 35919-82-5
• SMILES: [C@@]67(O)C1C([C@@]5([C@](O)(CC1)C[C@H](O[C@@H]3OC([C@H]2OC(OC2C3)(CCC)C4=CC=CC=C4)C)CC5)C=O)CC[C@@]6([C@H](CC7)C8=CC(OC8)=O)C
• InChI: 1S/C39H52O9/c1-4-14-39(26-8-6-5-7-9-26)47-31-20-33(45-24(2)34(31)48-39)46-27-10-16-36(23-40)29-11-15-35(3)28(25-19-32(41)44-22-25)13-18-38(35,43)30(29)12-17-37(36,42)21-27/h5-9,19,23-24,27-31,33-34,42-43H,4,10-18,20-22H2,1-3H3/t24?,27-,28-,29?,30?,31?,33+,34-,35-,36+,37+,38+,39?/m1/s1
• InChIKey: FZSCXXRCCXPHSI-GFMIUHCHSA-N

Properties

• Density: 1.298g/cm³ (Cal.)
• Boiling point: 789.909°C at 760 mmHg (Cal.)
• Flash point: 241.432°C (Cal.)