(3R,5S,10S,13R,14S,17R)-3-[[(3aR,6R)-2-Ethyl-4-Methyl-2-(Phenylmethyl)-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# 35811-18-8]

Identification

• Name: (3R,5S,10S,13R,14S,17R)-3-[[(3aR,6R)-2-Ethyl-4-Methyl-2-(Phenylmethyl)-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)-2-Ethyl-4-Methyl-2-(Phenylmethyl)-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)-2-(Benzyl)-2-Ethyl-4-Methyl-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 272
• Molecular Formula: C₃₉H₅₂O₉
• Molecular Weight: 664.83
• CAS Registry Number: 35811-18-8
• SMILES: [C@@]67(O)C1C([C@@]5([C@](O)(CC1)C[C@H](O[C@@H]3OC([C@H]2OC(OC2C3)(CC)CC4=CC=CC=C4)C)CC5)C=O)CC[C@@]6([C@H](CC7)C8=CC(OC8)=O)C
• InChI: 1S/C39H52O9/c1-4-38(20-25-8-6-5-7-9-25)47-31-19-33(45-24(2)34(31)48-38)46-27-10-15-36(23-40)29-11-14-35(3)28(26-18-32(41)44-22-26)13-17-39(35,43)30(29)12-16-37(36,42)21-27/h5-9,18,23-24,27-31,33-34,42-43H,4,10-17,19-22H2,1-3H3/t24?,27-,28-,29?,30?,31?,33+,34-,35-,36+,37+,38?,39+/m1/s1
• InChIKey: HNPHHQIVLVXXAR-VDOUTBIYSA-N

Properties

• Density: 1.298g/cm³ (Cal.)
• Boiling point: 786.289°C at 760 mmHg (Cal.)
• Flash point: 240.141°C (Cal.)