(3beta,5beta)-3-[(6-Deoxy-4-O-beta-D-Glucopyranosyl-alpha-L-Mannopyranosyl)Oxy]-5,14-Dihydroxy-19-Oxocard-20(22)-Enolide
[CAS# 13473-51-3]

Identification

• Name: (3beta,5beta)-3-[(6-Deoxy-4-O-beta-D-Glucopyranosyl-alpha-L-Mannopyranosyl)Oxy]-5,14-Dihydroxy-19-Oxocard-20(22)-Enolide
• Synonyms: (3S,5S,8R,9S,10S,13R,14S,17R)-3-[3,4-Dihydroxy-6-Methyl-5-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-5,14-Dihydroxy-13-Methyl-17-(5-Oxo-4H-Furan-3-Yl)-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)-3-[[3,4-Dihydroxy-6-Methyl-5-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-5,14-Dihydroxy-13-Methyl-17-(5-Oxo-4H-Furan-3-Yl)-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)-3-[3,4-Dihydroxy-6-Methyl-5-(3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl)Oxy-Tetrahydropyran-2-Yl]Oxy-5,14-Dihydroxy-17-(5-Keto-4H-Furan-3-Yl)-13-Methyl-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-10-Carbaldehyde
• Molecular Formula: C₃₅H₅₂O₁₅
• Molecular Weight: 712.79
• CAS Registry Number: 13473-51-3
• EINECS: 236-749-7
• SMILES: [C@H]7(OC2OC(C(OC1OC(C(C(C1O)O)O)CO)C(C2O)O)C)CC[C@@]6([C@H]5CC[C@@]4([C@@H](C3=COC(=O)C3)CC[C@@]4([C@@H]5CC[C@@]6(C7)O)O)C)C=O
• InChI: 1S/C35H52O15/c1-16-29(50-31-27(42)25(40)24(39)22(13-36)49-31)26(41)28(43)30(47-16)48-18-3-8-33(15-37)20-4-7-32(2)19(17-11-23(38)46-14-17)6-10-35(32,45)21(20)5-9-34(33,44)12-18/h14-16,18-22,24-31,36,39-45H,3-13H2,1-2H3/t16?,18-,19+,20-,21+,22?,24?,25?,26?,27?,28?,29?,30?,31?,32+,33-,34-,35-/m0/s1
• InChIKey: BHWKWRJEHRYZOO-RWUVXYDMSA-N

Properties

• Density: 1.508g/cm³ (Cal.)
• Boiling point: 936.973°C at 760 mmHg (Cal.)
• Flash point: 291.697°C (Cal.)