Pectenotoxin 1
[CAS# 97564-90-4]

Identification

• Name: Pectenotoxin 1
• Synonyms: Pectenotoxin-1; 7,11:11,14:16,19:20,25:22,25:26,29-Hexaepoxy-12H-Furo(3,2-B)Oxacyclotetratriacontin-5,18(6H,13H)-Dione, 2,3,3A,7,8,99,10,14,15,16,17,19,20,21,22,23,24,26,27,28,29,30,31,35A-Tetracosahydro-15-Hydroxy-22-(Hydroxymethyl)-6,16,29,31,33-Pentamet
• Molecular Formula: C₄₇H₇₀O₁₅
• Molecular Weight: 875.06
• CAS Registry Number: 97564-90-4
• SMILES: O2[C@]16O[C@@](CC1)(C[C@@H]2[C@H]3O[C@](CC3=O)([C@@H](O)[C@H]9O[C@@]4(O[C@@H](CCC4)[C@H](C(O[C@@H]5C[C@H](O[C@@H]5/C=C/C(=C/[C@@H](C[C@@]7(O[C@@H]6CC7)C)C)C)[C@]8(OCC[C@H]([C@H]8O)C)O)=O)C)CC9)C)CO
• InChI: 1S/C47H70O15/c1-26-9-10-32-34(21-37(55-32)47(53)39(50)28(3)13-19-54-47)56-41(52)29(4)31-8-7-14-45(57-31)16-11-33(58-45)40(51)43(6)23-30(49)38(61-43)35-24-44(25-48)17-18-46(59-35,62-44)36-12-15-42(5,60-36)22-27(2)20-26/h9-10,20,27-29,31-40,48,50-51,53H,7-8
• InChIKey: KJWMGLBVDNMNQW-VWTMXFPPSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)