(2beta,15alpha)-2-((2-Deoxy-4-O-(6-Deoxy-alpha-L-Mannopyranosyl)-3-O-(3-Hydroxy-1-Oxo-3-Phenylpropyl)-2-((3-Methyl-1-Oxobutyl)Amino)-beta-D-Glucopyranosyl)Oxy)-13,15-Dihydroxykaur-16-Ene-18,19-Dioic Acid
[CAS# 131862-38-9]

Identification

• Name: (2beta,15alpha)-2-((2-Deoxy-4-O-(6-Deoxy-alpha-L-Mannopyranosyl)-3-O-(3-Hydroxy-1-Oxo-3-Phenylpropyl)-2-((3-Methyl-1-Oxobutyl)Amino)-beta-D-Glucopyranosyl)Oxy)-13,15-Dihydroxykaur-16-Ene-18,19-Dioic Acid
• Synonyms: 2-((2-Deoxy-4-O-(6-Deoxy-Alpha-L-Mannopyranosyl)-3-O-(3-Hydroxy-1-Oxo-3-Phenylpropyl)-2-((3-Methyl-1-Oxobutyl)Amino)-Beta-D-Glucopyranosyl)Oxy)-13,15-Dihydroxykaur-16-Ene-18,19-Dioic Acid (2Beta,15Alpha)-; Kaur-16-Ene-18,19-Dioic Acid, 2-((2-Deoxy-4-O-(6-Deoxy-Alpha-L-Mannopyranosyl)-3-O-(3-Hydroxy-1-Oxo-3-Phenylpropyl)-2-((3-Methyl-1-Oxobutyl)Amino)-Beta-D-Glucopyranosyl)Oxy)-13,15-Dihydroxy-, (2Beta,15Alpha)-; O-Rhamnosyl-(1''-4')-14'-Hydroxywedeloside
• Molecular Formula: C₄₆H₆₅NO₁₈
• Molecular Weight: 920.02
• CAS Registry Number: 131862-38-9
• SMILES: [C@@H]1(O)[C@H]([C@H]([C@@H](O[C@H]1C)O[C@@H]6[C@H](O[C@@H](O[C@@H]2CC([C@@H]3[C@@](C2)([C@H]4C5(CC3)C[C@@](CC4)(C([C@@H]5O)=C)O)C)(C(=O)O)C(O)=O)[C@@H]([C@H]6OC(=O)CC(C7=CC=CC=C7)O)NC(C(C)(C)C)=O)CO)O)O
• InChI: 1S/C46H65NO18/c1-21-36(54)44-14-12-28-43(6,27(44)13-15-45(21,60)20-44)17-24(18-46(28,40(56)57)41(58)59)62-37-30(47-39(55)42(3,4)5)35(64-29(50)16-25(49)23-10-8-7-9-11-23)34(26(19-48)63-37)65-38-33(53)32(52)31(51)22(2)61-38/h7-11,22,24-28,30-38,48-49,51-54,60H,1,12-20H2,2-6H3,(H,47,55)(H,56,57)(H,58,59)/t22-,24-,25?,26+,27-,28-,30+,31-,32+,33+,34+,35+,36-,37+,38-,43-,44?,45-/m0/s1
• InChIKey: HSOPLEIUXGFKIB-KJAVYXPRSA-N

Properties

• Density: 1.462g/cm³ (Cal.)
• Boiling point: 1106.842°C at 760 mmHg (Cal.)
• Flash point: 623.196°C (Cal.)