3,4-Dideoxy-1-C-[(1S,2R,5R,7R,8E,10E,12R,14S,16R,19R,20S,24R,27S,28S,29R,32R,33R,35S)-28-hydroxy-5,7,9,19,29,35-hexamethyl-18,31-dioxo-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.1^1,35.1^2,5.1 ^20,24.1^24,27.1^29,32.0^12,16]tritetraconta-8,10-dien-14-yl]-3-methyl-beta-D-erythro-pentopyranose
[CAS# 97564-91-5]

Identification

• Name: 3,4-Dideoxy-1-C-[(1S,2R,5R,7R,8E,10E,12R,14S,16R,19R,20S,24R,27S,28S,29R,32R,33R,35S)-28-hydroxy-5,7,9,19,29,35-hexamethyl-18,31-dioxo-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.1^1,35.1^2,5.1 ^20,24.1^24,27.1^29,32.0^12,16]tritetraconta-8,10-dien-14-yl]-3-methyl-beta-D-erythro-pentopyranose
• Synonyms: (1S,2R,5R,7R,8E,10E,12R,14S,16R,19R,20S,24R,27S,28S,29R,32R,33R,35S)-14-[(2S,3R,4R)-2,3-dihydroxy-4-methyltetrahydro-2H-pyran-2-yl]-28-hydroxy-5,7,9,19,29,35-hexamethyl-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.1^1,35.1^2,5.1^20,24.1^24,27.1^29,32.0^12,16]tritetraconta-8,10-diene-18,31-dione (non-preferred name); 43-Dioxypectenotoxin; 7,11:11,14:16,19:20,25:26,29-Hexaepoxy-12H-furo(3,2-b)oxacyclotetratriacontin-5,18(6H,13H)-dione, 2,3,3a,7,8,9,10,14,15,16,17,19,20,21,22,23,24,26,27,28,29,30,31,35a-tetracosahydro-15-hydroxy-6,16,22,29,31,33-hexamethyl-2-((2S,3R,4R)-tetrahydro-2,3-dihydroxy-4-methyl-2H-pyran-2-yl)-, (2S,3aR,6R,7S,11R,14S,15S,16R,19R,20R,22S,25S,26R,29R,31R,32E,34E,35aR)-
• Molecular Formula: C₄₇H₇₀O₁₄
• Molecular Weight: 859.05
• CAS Registry Number: 97564-91-5
• SMILES: C[C@@H]1CCO[C@@]([C@@H]1O)([C@@H]2C[C@@H]3[C@H](O2)/C=C/C(=C/[C@@H](C[C@]4(CC[C@@H](O4)[C@]56CC[C@](O5)(C[C@@H](O6)[C@@H]7C(=O)C[C@@](O7)([C@H]([C@@H]8CC[C@]9(O8)CCC[C@H](O9)[C@H](C(=O)O3)C)O)C)C)C)C)/C)O
• InChI: 1S/C47H70O14/c1-26-10-11-32-34(22-37(54-32)47(52)39(49)28(3)14-20-53-47)55-41(51)29(4)31-9-8-15-45(56-31)17-12-33(57-45)40(50)44(7)24-30(48)38(60-44)35-25-43(6)18-19-46(58-35,61-43)36-13-16-42(5,59-36)23-27(2)21-26/h10-11,21,27-29,31-40,49-50,52H,8-9,12-20,22-25H2,1-7H3/b11-10+,26-21+/t27-,28+,29+,31-,32+,33-,34+,35+,36+,37-,38-,39+,40-,42+,43-,44+,45+,46-,47+/m0/s1
• InChIKey: PTKFEDGHUVZLPL-LLUYWJARSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)