Trigonelloside C
[CAS# 60478-69-5]

Identification

• Name: Trigonelloside C
• Synonyms: Trigonelloside C
• Molecular Formula: C₅₁H₈₄O₂₂
• Molecular Weight: 1049.21
• CAS Registry Number: 60478-69-5
• SMILES: [C@]27([C@H]([C@@H]1CC=C6[C@@]([C@H]1CC2)(CC[C@H](O[C@H]3[C@@H]([C@@H](O)[C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H](O)[C@H]([C@@H](O4)C)O)O)O[C@H]5[C@@H]([C@H](O)[C@H]([C@@H](O5)C)O)O)C6)C)C[C@H]9[C@@H]7[C@@H]([C@](CC[C@@H](CO[C@H]8[C@@H]([C@@H](O)[C@@H]([C@H](O8)CO)O)O)C)(O)O9)C)C
• InChI: 1S/C51H84O22/c1-20(19-65-45-39(60)38(59)35(56)30(17-52)69-45)9-14-51(64)21(2)32-29(73-51)16-28-26-8-7-24-15-25(10-12-49(24,5)27(26)11-13-50(28,32)6)68-48-44(72-47-41(62)37(58)34(55)23(4)67-47)42(63)43(31(18-53)70-48)71-46-40(61)36(57)33(54)22(3)66-46/h7,20-23,25-48,52-64H,8-19H2,1-6H3/t20-,21-,22-,23-,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+/m0/s1
• InChIKey: LVTJOONKWUXEFR-YFQJTNJMSA-N

Properties

• Density: 1.47g/cm³ (Cal.)