3beta-[(6-Deoxy-beta-D-Gulopyranosyl)Oxy]-5,12beta,14-Trihydroxy-19-Oxo-5beta-Card-20(22)-Enolide
[CAS# 23605-05-2]

Identification

• Name: 3beta-[(6-Deoxy-beta-D-Gulopyranosyl)Oxy]-5,12beta,14-Trihydroxy-19-Oxo-5beta-Card-20(22)-Enolide
• Synonyms: (3S,5S,8R,9S,10S,12R,13S,14S,17R)-5,12,14-Trihydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-3-[(2R,3R,4R,5R,6R)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-10-Carbaldehyde; (3S,5S,8R,9S,10S,12R,13S,14S,17R)-5,12,14-Trihydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-3-[[(2R,3R,4R,5R,6R)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-10-Carboxaldehyde; (3S,5S,8R,9S,10S,12R,13S,14S,17R)-5,12,14-Trihydroxy-17-(5-Keto-2H-Furan-3-Yl)-13-Methyl-3-[(2R,3R,4R,5R,6R)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-10-Carbaldehyde
• Molecular Formula: C₂₉H₄₂O₁₁
• Molecular Weight: 566.64
• CAS Registry Number: 23605-05-2
• SMILES: [C@]25([C@@]([C@@H](C1=CC(=O)OC1)CC2)([C@H](O)C[C@@H]6[C@]4(CC[C@H](O[C@H]3[C@@H]([C@H](O)[C@H]([C@H](O3)C)O)O)C[C@]4(CC[C@@H]56)O)C=O)C)O
• InChI: 1S/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16+,17-,18-,19+,20-,22+,23-,24-,25+,26+,27+,28+,29+/m1/s1
• InChIKey: MFIXZHBJWSBQJA-OZQKXHGLSA-N