(20S)-13,28-Epoxy-3beta-[4-O-(3-O-beta-D-Glucopyranosyl-2-O-beta-D-Xylopyranosyl-beta-D-Glucopyranosyl)-2-O-beta-D-Glucopyranosyl-alpha-L-Arabinopyranosyloxy]-16alpha-Hydroxyoleanan-29-Al
[CAS# 23643-76-7]

Identification

• Name: (20S)-13,28-Epoxy-3beta-[4-O-(3-O-beta-D-Glucopyranosyl-2-O-beta-D-Xylopyranosyl-beta-D-Glucopyranosyl)-2-O-beta-D-Glucopyranosyl-alpha-L-Arabinopyranosyloxy]-16alpha-Hydroxyoleanan-29-Al
• Synonyms: Cyclamin
• Molecular Formula: C₅₈H₉₄O₂₇
• Molecular Weight: 1223.36
• CAS Registry Number: 23643-76-7
• SMILES: [C@@]25([C@@]3([C@@H]1C[C@](C=O)(C)CC[C@@]1([C@@H](C2)O)CO3)CC[C@@H]6[C@]4(CC[C@@H](C([C@@H]4CC[C@@]56C)(C)C)O[C@H]8[C@H](O[C@H]7[C@@H]([C@@H](O)[C@@H]([C@H](O7)CO)O)O)[C@@H](O)[C@H](CO8)O[C@H]%10[C@@H]([C@@H](O[C@H]9[C@@H]([C@@H](O)[C@@H]([C@H](O9)CO)O)O)[C@@H]([C@H](O%10)CO)O)O[C@H]%11[C@@H]([C@@H](O)[C@@H](CO%11)O)O)C)C
• InChI: 1S/C58H94O27/c1-52(2)29-7-11-55(5)30(8-12-58-31-15-53(3,22-62)13-14-57(31,23-77-58)32(64)16-56(55,58)6)54(29,4)10-9-33(52)82-50-45(84-49-43(74)40(71)36(67)26(18-60)79-49)38(69)28(21-76-50)81-51-46(85-47-41(72)34(65)24(63)20-75-47)44(37(68)27(19-61)80-51)83-48-42(73)39(70)35(66)25(17-59)78-48/h22,24-51,59-61,63-74H,7-21,23H2,1-6H3/t24-,25-,26-,27-,28+,29+,30-,31-,32-,33+,34+,35-,36-,37-,38+,39+,40+,41-,42-,43-,44+,45-,46-,47+,48+,49+,50+,51+,53+,54+,55-,56+,57-,58+/m1/s1
• InChIKey: JPEQATLMKATGAQ-JOONIPAFSA-N

Properties

• Density: 1.532g/cm³ (Cal.)