1,3,12,20,26-Pentahydroxydammar-24(25)-ene-20-O-glucopyranosyl-1-6-glucopyranoside
[CAS# 150626-50-9]

Identification

• Name: 1,3,12,20,26-Pentahydroxydammar-24(25)-ene-20-O-glucopyranosyl-1-6-glucopyranoside
• Synonyms: (2S,3R,4S,5S,6R)-2-[(E,1R)-6-Hydroxy-1,5-Dimethyl-1-[(10R,12R,13S,14R,17S)-1,3,12-Trihydroxy-4,4,10,14-Tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]Hept-4-Enoxy]-6-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5S,6R)-2-[(E,1R)-6-Hydroxy-1,5-Dimethyl-1-[(10R,12R,13S,14R,17S)-1,3,12-Trihydroxy-4,4,10,14-Tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]Hept-4-Enoxy]-6-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxymethyl]Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5S,6R)-2-[(E,1R)-6-Hydroxy-1,5-Dimethyl-1-[(10R,12R,13S,14R,17S)-1,3,12-Trihydroxy-4,4,10,14-Tetramethyl-1,2,3,5,6,7,8,9,11,12,13,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]Hept-4-Enoxy]-6-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₄₂H₇₂O₁₅
• Molecular Weight: 817.02
• CAS Registry Number: 150626-50-9
• SMILES: [C@H]34[C@@](C2C([C@@]1(C(C(C(O)CC1O)(C)C)CC2)C)C[C@H]3O)(CC[C@@H]4[C@](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)(CC\C=C(C(O)C)/C)C)C
• InChI: 1S/C42H72O15/c1-19(20(2)44)9-8-13-41(6,57-38-36(53)34(51)32(49)26(56-38)18-54-37-35(52)33(50)31(48)25(17-43)55-37)22-12-14-40(5)21-10-11-27-39(3,4)28(46)16-29(47)42(27,7)23(21)15-24(45)30(22)40/h9,20-38,43-53H,8,10-18H2,1-7H3/b19-9+/t20?,21?,22-,23?,24+,25+,26+,27?,28?,29?,30+,31+,32+,33-,34-,35+,36+,37+,38-,40+,41+,42+/m0/s1
• InChIKey: YAOJJOTVBDRHTF-FKCANTINSA-N

Properties

• Density: 1.365g/cm³ (Cal.)
• Boiling point: 950.515°C at 760 mmHg (Cal.)
• Flash point: 528.653°C (Cal.)