Esculentoside F
[CAS# 95263-31-3]

Identification

• Name: Esculentoside F
• Synonyms: (2R,4Ar,6Ar,6As,6Br,9R,10R,11S,12Ar,14Br)-10-[(2S,3R,4R,5R)-3,4-Dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-11-Hydroxy-9-(Hydroxymethyl)-2,6A,6B,9,12A-Pentamethyl-1,3,4,5,6,6A,7,8,8A,10
• Molecular Formula: C₄₁H₆₄O₁₆
• Molecular Weight: 812.95
• CAS Registry Number: 95263-31-3
• SMILES: [C@@]45([C@@H]([C@@]3(C([C@@]([C@@H](O[C@@H]2OC[C@@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)[C@H](O)[C@H]2O)[C@@H](O)C3)(CO)C)CC4)C)CC=C6[C@]5(CC[C@@]7([C@@H]6C[C@@](CC7)(C(=O)O)C)C(=O)O)C)C
• InChI: 1S/C41H64O16/c1-36(34(50)51)10-12-41(35(52)53)13-11-39(4)19(20(41)14-36)6-7-25-37(2)15-21(44)31(38(3,18-43)24(37)8-9-40(25,39)5)57-32-29(48)27(46)23(17-54-32)56-33-30(49)28(47)26(45)22(16-42)55-33/h6,20-33,42-49H,7-18H2,1-5H3,(H,50,51)(H,52,53)/t20-,21+,2
• InChIKey: IZWDXDONQAMEHX-BZMKVPAPSA-N

Properties

• Density: 1.458g/cm³ (Cal.)
• Boiling point: 971.69°C at 760 mmHg (Cal.)
• Flash point: 289.06°C (Cal.)