2-O-Glucopyranosylcucurbitacin F-25-Acetate
[CAS# 117869-71-3]

Identification

• Name: 2-O-Glucopyranosylcucurbitacin F-25-Acetate
• Synonyms: [(E,5R)-5-[(2S,3S,8S,9R,10R,13R,14S,16R,17R)-3,16-Dihydroxy-4,4,9,13,14-Pentamethyl-11-Oxo-2-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-1,2,3,7,8,10,12,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]-5-Hydroxy-1,1-Dimethyl-4-Oxo-Hex-2-Enyl] Acetate; Acetic Acid [(E,5R)-5-[(2S,3S,8S,9R,10R,13R,14S,16R,17R)-3,16-Dihydroxy-4,4,9,13,14-Pentamethyl-11-Oxo-2-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-1,2,3,7,8,10,12,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]-5-Hydroxy-1,1-Dimethyl-4-Oxohex-2-Enyl] Ester; Acetic Acid [(E,5R)-5-[(2S,3S,8S,9R,10R,13R,14S,16R,17R)-3,16-Dihydroxy-11-Keto-4,4,9,13,14-Pentamethyl-2-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-1,2,3,7,8,10,12,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]-5-Hydroxy-4-Keto-1,1-Dimethyl-Hex-2-Enyl] Ester
• Molecular Formula: C₃₈H₅₈O₁₃
• Molecular Weight: 722.87
• CAS Registry Number: 117869-71-3
• SMILES: [C@H]4([C@H](C[C@@H]2C(=CC[C@H]3[C@]1(C)C[C@H]([C@H]([C@@](C(\C=C\C(C)(C)OC(=O)C)=O)(C)O)[C@@]1(C)CC([C@@]23C)=O)O)C4(C)C)O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@H](O5)CO)O
• InChI: 1S/C38H58O13/c1-18(40)51-33(2,3)13-12-25(42)38(9,48)30-21(41)15-35(6)24-11-10-19-20(37(24,8)26(43)16-36(30,35)7)14-22(31(47)34(19,4)5)49-32-29(46)28(45)27(44)23(17-39)50-32/h10,12-13,20-24,27-32,39,41,44-48H,11,14-17H2,1-9H3/b13-12+/t20-,21-,22+,23-,24+,27-,28+,29-,30+,31-,32-,35+,36-,37+,38+/m1/s1
• InChIKey: JXLGHGQDRCPDGI-HEKOSTPLSA-N

Properties

• Density: 1.343g/cm³ (Cal.)
• Boiling point: 857.336°C at 760 mmHg (Cal.)
• Flash point: 257.679°C (Cal.)