1-O-[(2alpha,3beta,19alpha)-2,3,19,23-Tetrahydroxy-28-Oxoolean-12-En-28-Yl]-beta-D-Glucopyranose
[CAS# 62319-70-4]

Identification

• Name: 1-O-[(2alpha,3beta,19alpha)-2,3,19,23-Tetrahydroxy-28-Oxoolean-12-En-28-Yl]-beta-D-Glucopyranose
• Molecular Formula: C₃₆H₅₈O₁₁
• Molecular Weight: 666.84
• CAS Registry Number: 62319-70-4
• SMILES: C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4[C@@H](C(CC5)(C)C)O)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)(C[C@H]([C@@H]([C@@]3(C)CO)O)O)C
• InChI: 1S/C36H58O11/c1-31(2)11-13-36(30(45)47-29-26(42)25(41)24(40)20(16-37)46-29)14-12-34(5)18(23(36)28(31)44)7-8-22-32(3)15-19(39)27(43)33(4,17-38)21(32)9-10-35(22,34)6/h7,19-29,37-44H,8-17H2,1-6H3/t19-,20-,21-,22-,23-,24-,25+,26-,27+,28+,29+,32+,33+,34-,35-,36+/m1/s1
• InChIKey: CMZFNIMQBCBHEX-APNSOIJXSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 775.0±60.0°C at 760 mmHg (Cal.)
• Flash point: 234.7±26.4°C (Cal.)

References

• (1): M. Parvez, Atta-ur-Rahman, I. M. Choudhary, S. Zareen, N. M. Akhtar, S. Shujaat and F. N. Ngounou. Arjunglucoside I chloromethane 0.25-solvate monohydrate, Acta Cryst. (2004). E60, o2130-o2132