3beta-[(6-Deoxy-alpha-L-Mannopyranosyl)Oxy]-11beta,14,19-Trihydroxy-5alpha-Card-20(22)-Enolide
[CAS# 17669-76-0]

Identification

• Name: 3beta-[(6-Deoxy-alpha-L-Mannopyranosyl)Oxy]-11beta,14,19-Trihydroxy-5alpha-Card-20(22)-Enolide
• Synonyms: 4-[(3S,5S,8R,9S,10R,11S,13R,17R)-11,14-Dihydroxy-10-(Hydroxymethyl)-13-Methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[(3S,5S,8R,9S,10R,11S,13R,17R)-11,14-Dihydroxy-10-(Hydroxymethyl)-13-Methyl-3-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One; 4-[(3S,5S,8R,9S,10R,11S,13R,17R)-11,14-Dihydroxy-13-Methyl-10-Methylol-3-[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-5H-Furan-2-One
• Molecular Formula: C₂₉H₄₄O₁₀
• Molecular Weight: 552.66
• CAS Registry Number: 17669-76-0
• SMILES: [C@@H]14[C@H](C2(O)[C@](C[C@@H]1O)([C@H](CC2)C3=CC(OC3)=O)C)CC[C@@H]6[C@@]4(CC[C@H](O[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C)C6)CO
• InChI: 1S/C29H44O10/c1-14-23(33)24(34)25(35)26(38-14)39-17-5-7-28(13-30)16(10-17)3-4-19-22(28)20(31)11-27(2)18(6-8-29(19,27)36)15-9-21(32)37-12-15/h9,14,16-20,22-26,30-31,33-36H,3-8,10-13H2,1-2H3/t14-,16-,17-,18+,19+,20-,22+,23-,24+,25+,26-,27+,28+,29?/m0/s1
• InChIKey: ZHXZFMUKNSGMQD-QQDDHVCESA-N

Properties

• Density: 1.418g/cm³ (Cal.)
• Boiling point: 771.059°C at 760 mmHg (Cal.)
• Flash point: 251.251°C (Cal.)