Pectenotoxin 2
CAS Registry Number®
CAS Name
Pectenotoxin 2Molecular Formula
C47H70O14Molecular Mass
859.05Cite this Page
Pectenotoxin 2. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=97564-91-5 (retrieved ) (CAS RN: 97564-91-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
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
InChIKey=PTKFEDGHUVZLPL-LLUYWJARSA-N
SMILES
C[C@@]12O[C@]3([C@@]4(O[C@](C)(CC4)C[C@@H](C)/C=C(\C)/C=C/[C@@]5([C@@](C[C@](O5)([C@]6(O)[C@H](O)[C@H](C)CCO6)[H])(OC(=O)[C@H](C)[C@]7(O[C@@]8(O[C@]([C@H](O)[C@]9(C)O[C@]([C@](O3)(C1)[H])(C(=O)C9)[H])(CC8)[H])CCC7)[H])[H])[H])[H])CC2
Canonical SMILES
O=C1OC2CC(OC2C=CC(=CC(C)CC3(OC(CC3)C45OC(CC(O4)(C)CC5)C6OC(C)(CC6=O)C(O)C7OC8(OC(CCC8)C1C)CC7)C)C)C9(O)OCCC(C)C9O
Other Names for this Substance
- 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,7,8,9,10,14,15,16,17,19,20,21,22,23,24,26,27,28,29,30,31,35a-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)-
- Pectenotoxin 1, 43-deoxy-
- (2S,3aR,6R,7S,11R,14S,15S,16R,19R,20R,22S,25S,26R,29R,31R,32E,34E,35aR)-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]-7,11:11,14:16,19:20,25:22,25:26,29-hexaepoxy-12H-furo[3,2-b]oxacyclotetratriacontin-5,18(6H,13H)-dione
- Pectenotoxin 2
- Pectenotoxin II
