3beta-O-(alpha-L-Rhamnopyranosyl-(1-2)-O-beta-D-Glucopyranosyl-(1-4)-(O-beta-D-Glucopyranosyl-(1-2))-alpha-L-Arabinopyranosyl)-16alpha-Hydroxy-13beta,28-Epoxyolean-30-Al
[CAS# 112766-96-8]

Identification

• Name: 3beta-O-(alpha-L-Rhamnopyranosyl-(1-2)-O-beta-D-Glucopyranosyl-(1-4)-(O-beta-D-Glucopyranosyl-(1-2))-alpha-L-Arabinopyranosyl)-16alpha-Hydroxy-13beta,28-Epoxyolean-30-Al
• Synonyms: Ardisiacrispin B; Oleanan-29-Al, 3-((O-6-Deoxy-Alpha-L-Mannopyranosyl-(1-2)-O-Beta-D-Glucopyranosyl-(1-4)-O-(Beta-D-Glucopyranosyl-(1-2))-Alpha-L-Arabinopyranosyl)Oxy)-13,28-Epoxy-16-Hydroxy-, (3Beta,16Alpha,20Beta)-
• Molecular Formula: C₅₃H₈₆O₂₂
• Molecular Weight: 1075.25
• CAS Registry Number: 112766-96-8
• SMILES: [C@@]34(C1(OCC2([C@H]1C[C@](CC2)(C=O)C)[C@H](O)C3)CC[C@H]5[C@]4(CC[C@@H]%10[C@@]5(CC[C@H](O[C@@H]8OC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@H]([C@H](O)[C@@H](O)[C@H]7O)C)CO)[C@H](O)[C@H]8O[C@@H]9OC([C@@H](O)[C@H](O)[C@H]9O)CO)C%10(C)C)C)C)C
• InChI: 1S/C53H86O22/c1-23-32(58)36(62)39(65)43(69-23)75-42-38(64)34(60)25(19-55)71-46(42)72-26-20-67-45(41(35(26)61)74-44-40(66)37(63)33(59)24(18-54)70-44)73-31-10-11-49(5)27(47(31,2)3)8-12-50(6)28(49)9-13-53-29-16-48(4,21-56)14-15-52(29,22-68-53)30(57)17-51(50,53)7/h21,23-46,54-55,57-66H,8-20,22H2,1-7H3/t23-,24?,25+,26-,27-,28+,29+,30+,31-,32-,33+,34+,35-,36+,37-,38-,39+,40+,41+,42+,43-,44-,45-,46-,48-,49-,50+,51-,52?,53?/m0/s1
• InChIKey: ZDIHSHLFPFGAGP-GRWMUYEGSA-N

Properties

• Density: 1.468g/cm³ (Cal.)