(3R,5R,10R,13R,14S,17R)-14-Hydroxy-3-[(2R,5R)-5-Hydroxy-4-Methoxy-6-Methyloxan-2-Yl]Oxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[a]Phenanthrene-10-Carbaldehyde
[CAS# 3751-87-9]

Identification

• Name: (3R,5R,10R,13R,14S,17R)-14-Hydroxy-3-[(2R,5R)-5-Hydroxy-4-Methoxy-6-Methyloxan-2-Yl]Oxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[a]Phenanthrene-10-Carbaldehyde
• Synonyms: (3R,5R,10R,13R,14S,17R)-14-Hydroxy-3-[(2R,5R)-5-Hydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene-10-Carbaldehyde; (3R,5R,10R,13R,14S,17R)-14-Hydroxy-3-[[(2R,5R)-5-Hydroxy-4-Methoxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene-10-Carboxaldehyde; (3R,5R,10R,13R,14S,17R)-14-Hydroxy-3-[(2R,5R)-5-Hydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-17-(5-Keto-2H-Furan-3-Yl)-13-Methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene-10-Carbaldehyde
• Molecular Formula: C₃₀H₄₄O₈
• Molecular Weight: 532.67
• CAS Registry Number: 3751-87-9
• SMILES: [C@@]45(O)C1C([C@@]3([C@H](CC1)C[C@H](O[C@@H]2OC([C@@H](O)C(OC)C2)C)CC3)C=O)CC[C@@]4([C@H](CC5)C6=CC(OC6)=O)C
• InChI: 1S/C30H44O8/c1-17-27(33)24(35-3)14-26(37-17)38-20-6-10-29(16-31)19(13-20)4-5-23-22(29)7-9-28(2)21(8-11-30(23,28)34)18-12-25(32)36-15-18/h12,16-17,19-24,26-27,33-34H,4-11,13-15H2,1-3H3/t17?,19-,20-,21-,22?,23?,24?,26+,27-,28-,29-,30+/m1/s1
• InChIKey: BVEFMGIAGANFEG-BQKXQXJRSA-N

Properties

• Density: 1.272g/cm³ (Cal.)
• Boiling point: 693.104°C at 760 mmHg (Cal.)
• Flash point: 223.043°C (Cal.)