(3beta,9beta,10alpha,22S,23R,24R)-22,23,24,25-tetrahydroxy-9-methyl-19-norlanost-5-en-3-yl 6-O-beta-D-galactopyranosyl-beta-D-Galactopyranoside
[CAS# 135126-59-9]

Identification

• Name: (3beta,9beta,10alpha,22S,23R,24R)-22,23,24,25-tetrahydroxy-9-methyl-19-norlanost-5-en-3-yl 6-O-beta-D-galactopyranosyl-beta-D-Galactopyranoside
• Synonyms: (3R,4R,5S,6S)-2-Methyl-6-[(9S,10R,13R,14S,17R)-4,4,9,13,14-Pentamethyl-3-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-2-Yl]Oxy-2,3,7,8,10,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Heptane-2,3,4,5-Tetrol; (3R,4R,5S,6S)-2-Methyl-6-[(9S,10R,13R,14S,17R)-4,4,9,13,14-Pentamethyl-3-[[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxymethyl]-2-Tetrahydropyranyl]Oxy]-2,3,7,8,10,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Heptane-2,3,4,5-Tetrol; (3R,4R,5S,6S)-2-Methyl-6-[(9S,10R,13R,14S,17R)-4,4,9,13,14-Pentamethyl-3-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-2-Yl]Oxy-2,3,7,8,10,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Heptane-2,3,4,5-Tetrol
• Molecular Formula: C₄₂H₇₂O₁₅
• Molecular Weight: 817.02
• CAS Registry Number: 135126-59-9
• SMILES: [C@]23(C([C@]1([C@@]([C@H](CC1)[C@@H]([C@H](O)[C@@H](O)[C@@H](O)C(O)(C)C)C)(CC2)C)C)CC=C6[C@@H]3CCC(O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO[C@@H]5O[C@@H]([C@H](O)[C@H](O)[C@H]5O)CO)C6(C)C)C
• InChI: 1S/C42H72O15/c1-19(27(44)32(49)35(52)39(4,5)53)20-13-14-42(8)25-11-9-21-22(40(25,6)15-16-41(20,42)7)10-12-26(38(21,2)3)57-37-34(51)31(48)29(46)24(56-37)18-54-36-33(50)30(47)28(45)23(17-43)55-36/h9,19-20,22-37,43-53H,10-18H2,1-8H3/t19-,20+,22-,23+,24+,25?,26?,27-,28-,29-,30-,31-,32+,33+,34+,35+,36+,37-,40+,41+,42-/m0/s1
• InChIKey: WBYJYPOPDKQBQJ-SAWDJCFZSA-N

Properties

• Density: 1.366g/cm³ (Cal.)
• Boiling point: 969.323°C at 760 mmHg (Cal.)
• Flash point: 540.027°C (Cal.)