(3S,5R,10R,13R,14S,17R)-3-[(2S,5R)-3,5-Dihydroxy-4-Methoxy-6-Methyloxan-2-Yl]Oxy-14-Hydroxy-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# 1182-87-2]

Identification

• Classification: Biochemical >> Chinese herbal medicine ingredients
• Name: (3S,5R,10R,13R,14S,17R)-3-[(2S,5R)-3,5-Dihydroxy-4-Methoxy-6-Methyloxan-2-Yl]Oxy-14-Hydroxy-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: (3S,5R,10R,13R,14S,17R)-3-[(2S,5R)-3,5-Dihydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-14-Hydroxy-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; (3S,5R,10R,13R,14S,17R)-3-[[(2S,5R)-3,5-Dihydroxy-4-Methoxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-14-Hydroxy-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; (3S,5R,10R,13R,14S,17R)-3-[(2S,5R)-3,5-Dihydroxy-4-Methoxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-14-Hydroxy-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: C₃₀H₄₄O₉
• Molecular Weight: 548.67
• CAS Registry Number: 1182-87-2
• EINECS: 214-659-9
• SMILES: [C@]45([C@@](O)(C1C([C@@]3([C@H](CC1)C[C@@H](O[C@H]2OC([C@@H](O)C(OC)C2O)C)CC3)C=O)CC4)CC[C@@H]5C6=CC(OC6)=O)C
• InChI: 1S/C30H44O9/c1-16-24(33)26(36-3)25(34)27(38-16)39-19-6-10-29(15-31)18(13-19)4-5-22-21(29)7-9-28(2)20(8-11-30(22,28)35)17-12-23(32)37-14-17/h12,15-16,18-22,24-27,33-35H,4-11,13-14H2,1-3H3/t16?,18-,19+,20-,21?,22?,24-,25?,26?,27-,28-,29-,30+/m1/s1
• InChIKey: PMTSPAGBAFCORP-DGORKHCUSA-N

Properties

• Density: 1.317g/cm³ (Cal.)
• Boiling point: 731.575°C at 760 mmHg (Cal.)
• Flash point: 236.21°C (Cal.)