Schottenol Glucoside
[CAS# 61376-86-1]

Identification

• Name: Schottenol Glucoside
• Synonyms: (2R,3R,4S,5S,6R)-2-[[(3S,5S,9R,10S,13R,14R,17R)-17-[(1R,4R)-4-Ethyl-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2R,3R,4S,5S,6R)-2-[[(3S,5S,9R,10S,13R,14R,17R)-17-[(1R,4R)-4-Ethyl-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2R,3R,4S,5S,6R)-2-[[(3S,5S,9R,10S,13R,14R,17R)-17-[(1R,4R)-4-Ethyl-1,5-Dimethyl-Hexyl]-10,13-Dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Oxy]-6-Methylol-Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₃₅H₆₀O₆
• Molecular Weight: 576.86
• CAS Registry Number: 61376-86-1
• SMILES: [C@]45([C@H](C3=CC[C@H]2C[C@@H](O[C@H]1[C@@H]([C@@H](O)[C@@H]([C@H](O1)CO)O)O)CC[C@@]2([C@H]3CC4)C)CC[C@@H]5[C@@H](CC[C@H](C(C)C)CC)C)C
• InChI: 1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h11,20-24,26-33,36-39H,7-10,12-19H2,1-6H3/t21-,22-,23+,24+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1
• InChIKey: XWPUVGRUJWXYTP-PYUVDJBBSA-N

Properties

• Density: 1.134g/cm³ (Cal.)
• Boiling point: 673.603°C at 760 mmHg (Cal.)
• Flash point: 361.182°C (Cal.)