Esculentoside P
[CAS# 60820-96-4]

Identification

• Name: Esculentoside P
• Synonyms: (2R,4Ar,6Ar,6As,6Br,9R,10R,11S,12Ar,14Br)-11-Hydroxy-9-(Hydroxymethyl)-2,6A,6B,9,12A-Pentamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-2,4A-Dicarboxylic Acid; (2R,4Ar,6Ar,6As,6Br,9R,10R,11S,12Ar,14Br)-11-Hydroxy-9-(Hydroxymethyl)-2,6A,6B,9,12A-Pentamethyl-10-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-2,4A-Dicarboxylic Acid; (2R,4Ar,6Ar,6As,6Br,9R,10R,11S,12Ar,14Br)-11-Hydroxy-2,6A,6B,9,12A-Pentamethyl-9-Methylol-10-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-1,3,4,5,6,6A,7,8,8A,10,11,12,13,14B-Tetradecahydropicene-2,4A-Dicarboxylic Acid
• Molecular Formula: C₃₆H₅₆O₁₂
• Molecular Weight: 680.83
• CAS Registry Number: 60820-96-4
• SMILES: [C@]23(C([C@@]([C@@H](O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@H](C2)O)(CO)C)CC[C@]4([C@]5(C(=CC[C@H]34)[C@@H]6[C@@](C(=O)O)(CC5)CC[C@](C6)(C(=O)O)C)C)C)C
• InChI: 1S/C36H56O12/c1-31(29(43)44)10-12-36(30(45)46)13-11-34(4)18(19(36)14-31)6-7-23-32(2)15-20(39)27(33(3,17-38)22(32)8-9-35(23,34)5)48-28-26(42)25(41)24(40)21(16-37)47-28/h6,19-28,37-42H,7-17H2,1-5H3,(H,43,44)(H,45,46)/t19-,20+,21-,22?,23-,24-,25+,26-,27+,28+,31-,32+,33+,34-,35-,36+/m1/s1
• InChIKey: HYBMIQRHHBBMMB-VZOUTUJFSA-N

Properties

• Density: 1.395g/cm³ (Cal.)
• Boiling point: 851.097°C at 760 mmHg (Cal.)
• Flash point: 261.303°C (Cal.)