Scropolioside A
[CAS# 116064-68-7]

Identification

• Name: Scropolioside A
• Molecular Formula: C₃₅H₄₄O₁₈
• Molecular Weight: 752.72
• CAS Registry Number: 116064-68-7
• SMILES: [C@@]36([C@H]([C@@H](O[C@H]2[C@@H]([C@H](OC(/C=C/C1=CC=C(C=C1)OC)=O)[C@H]([C@@H](O2)C)OC(=O)C)OC(=O)C)[C@H]5[C@@H]3[C@H](O[C@H]4[C@@H]([C@@H](O)[C@@H]([C@H](O4)CO)O)O)OC=C5)O6)CO
• InChI: 1S/C35H44O18/c1-15-27(47-16(2)38)29(50-22(40)10-7-18-5-8-19(44-4)9-6-18)30(48-17(3)39)34(46-15)51-28-20-11-12-45-32(23(20)35(14-37)31(28)53-35)52-33-26(43)25(42)24(41)21(13-36)49-33/h5-12,15,20-21,23-34,36-37,41-43H,13-14H2,1-4H3/b10-7+/t15-,20+,21+,23+,24+,25-,26+,27-,28-,29+,30+,31-,32-,33-,34-,35+/m0/s1
• InChIKey: RRBUKTFTHGQFCF-MLFNGFKZSA-N

Properties

• Density: 1.509g/cm³ (Cal.)
• Boiling point: 866.62°C at 760 mmHg (Cal.)
• Flash point: 266.722°C (Cal.)