Dinophysistoxin-2

  • CAT Number: T000163
  • CAS Number: 139933-46-3
  • Molecular Formula: C44H68O13
  • Molecular Weight: 805.015
  • Purity: ≥95%
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Dinophysistoxin-2 (CAS 139933-46-3) is a useful chemical.

Catalog Number T000163
CAS Number 139933-46-3
Molecular Formula

C44H68O13

Purity 95%
Storage Desiccate at -20C
IUPAC Name (2R)-3-[(2S,6R,8S,11R)-2-[(E,2R)-4-[(2S,2/'R,4R,4aS,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(2S,6R,11R)-11-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5/'-oxolane]-2/'-yl]but-3-en-2-yl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methylpropanoic acid
InChI InChI=1S/C44H68O13/c1-25-21-35(56-44(23-25)36(46)14-13-31(54-44)24-41(6,50)40(48)49)26(2)11-12-30-15-18-42(53-30)19-16-34-39(57-42)37(47)29(5)38(52-34)32(45)22-27(3)33-10-7-17-43(55-33)28(4)9-8-20-51-43/h11-12,23,26-28,30-39,45-47,50H,5,7-10,13-22,24H2,1-4,6H3,(H,48,49)/b12-11+/t26-,27+,28-,30+,31+,32+,33+,34-,35+,36-,37-,38+,39-,41-,42-,43-,44-/m1/s1
InChIKey BRFKTXCAUCYQBT-KIXJXINUSA-N
SMILES CC1CCCOC12CCCC(O2)C(C)CC(C3C(=C)C(C4C(O3)CCC5(O4)CCC(O5)C=CC(C)C6CC(=CC7(O6)C(CCC(O7)CC(C)(C(=O)O)O)O)C)O)O

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