Withangulatin A
[CAS# 120824-03-5]

Identification

• Name: Withangulatin A
• Synonyms: Withangulatin A
• Molecular Formula: C₃₀H₃₈O₈
• Molecular Weight: 526.63
• CAS Registry Number: 120824-03-5
• SMILES: [C@]236[C@@]([C@H]1CC[C@]4([C@]([C@@H]1C[C@H]2O3)([C@H](C=C4[C@@H]([C@@H]5OC(=O)C(=C(C5)C)C)C)OC(=O)C)O)C)(C(=O)C=C[C@@H]6O)C
• InChI: 1S/C30H38O8/c1-14-11-21(37-26(34)15(14)2)16(3)19-12-24(36-17(4)31)29(35)20-13-25-30(38-25)23(33)8-7-22(32)28(30,6)18(20)9-10-27(19,29)5/h7-8,12,16,18,20-21,23-25,33,35H,9-11,13H2,1-6H3/t16-,18-,20+,21+,23-,24-,25+,27+,28-,29-,30+/m0/s1
• InChIKey: PLPXOWZTDPJPHC-ISIACCJKSA-N

Properties

• Density: 1.334g/cm³ (Cal.)
• Boiling point: 699.357°C at 760 mmHg (Cal.)
• Flash point: 227.748°C (Cal.)