Pectenotoxin 3

CAS Registry Number®

97560-25-3

CAS Name

Pectenotoxin 3

Molecular Formula

C47H68O15

Molecular Mass

873.03

Cite this Page

Pectenotoxin 3.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=97560-25-3 (retrieved 2024-11-22) (CAS RN: 97560-25-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C47H68O15/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/h9-10,20,25,27-29,31-40,50-51,53H,7-8,11-19,21-24H2,1-6H3/b10-9+,26-20+/t27-,28+,29+,31-,32+,33-,34+,35+,36+,37-,38-,39+,40-,42+,43+,44-,45+,46-,47+/m0/s1

InChIKey

InChIKey=BFHAYPLBUQVNNJ-VWTMXFPPSA-N

SMILES

C(=O)[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=CC12OC3(OC(C1)C4OC(C)(CC4=O)C(O)C5OC6(OC(CCC6)C(C(=O)OC7CC(OC7C=CC(=CC(C)CC8(OC3CC8)C)C)C9(O)OCCC(C)C9O)C)CC5)CC2

Other Names for this Substance

  • 7,11:11,14:16,19:20,25:22,25:26,29-Hexaepoxy-12H-furo[3,2-b]oxacyclotetratriacontin-22(13H)-carboxaldehyde, 2,3,3a,5,6,7,8,9,10,14,15,16,17,18,19,20,21,23,24,26,27,28,29,30,31,35a-hexacosahydro-15-hydroxy-6,16,29,31,33-pentamethyl-5,18-dioxo-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-43-oxo-
  • 7,11:11,14:16,19:20,25:22,25:26,29-Hexaepoxy-12H-furo[3,2-b]oxacyclotetratriacontin, pectenotoxin 1 deriv.
  • (2S,3aR,6R,7S,11R,14S,15S,16R,19R,20R,22S,25S,26R,29R,31R,32E,34E,35aR)-2,3,3a,5,6,7,8,9,10,14,15,16,17,18,19,20,21,23,24,26,27,28,29,30,31,35a-Hexacosahydro-15-hydroxy-6,16,29,31,33-pentamethyl-5,18-dioxo-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-22(13H)-carboxaldehyde
  • Pectenotoxin 3

CAS INSIGHTSTM
Targeted protein degrader structure, illustration