45-Hydroxyyessotoxin

CAS Registry Number®

124863-39-4

CAS Name

45-Hydroxyyessotoxin

Molecular Formula

C55H82O22S2

Molecular Mass

1159.36

Cite this Page

45-Hydroxyyessotoxin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=124863-39-4 (retrieved 2024-11-25) (CAS RN: 124863-39-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C55H82O22S2/c1-10-30(56)27(2)11-14-51(5,58)50-29(4)19-39-38(72-50)25-46-55(9,75-39)49(57)48-42(71-46)23-41-47(73-48)28(3)12-15-53(7)44(70-41)26-43-54(8,77-53)16-13-31-32(69-43)20-34-33(66-31)21-35-36(67-34)22-40-37(68-35)24-45(76-79(62,63)64)52(6,74-40)17-18-65-78(59,60)61/h10-11,14,28,30-50,56-58H,1-2,4,12-13,15-26H2,3,5-9H3,(H,59,60,61)(H,62,63,64)/b14-11+/t28-,30+,31-,32+,33+,34-,35-,36+,37+,38+,39-,40-,41-,42+,43-,44+,45-,46-,47+,48+,49+,50-,51+,52+,53-,54+,55-/m0/s1

InChIKey

InChIKey=CWRLIVGLMMHNBD-SVYKOCEASA-N

SMILES

C[C@]12[C@@](O[C@]3([C@]([C@H]1O)(O[C@]4([C@](C3)(O[C@]5([C@](C)(CC[C@@H]4C)O[C@@]6(C)[C@](C5)(O[C@]7([C@](CC6)(O[C@]8([C@](C7)(O[C@]9([C@](C8)(O[C@]%10([C@](C9)(O[C@@](CCOS(=O)(=O)O)(C)[C@@H](OS(=O)(=O)O)C%10)[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])(C[C@@]%11([C@@](O2)(CC(=C)[C@@]([C@](/C=C/C([C@@H](C=C)O)=C)(C)O)(O%11)[H])[H])[H])[H]

Canonical SMILES

O=S(=O)(O)OCCC1(OC2CC3OC4CC5OC6CC7OC8CC9OC%10CC%11OC(C(=C)CC%11OC%10(C)C(O)C9OC8C(C)CCC7(OC6(C)CCC5OC4CC3OC2CC1OS(=O)(=O)O)C)C(O)(C=CC(=C)C(O)C=C)C)C

Other Names for this Substance

  • Yessotoxin, 45-hydroxy-, (45R)-
  • Pyrano[2′′′,3′′′:5′′,6′′]pyrano[2′′,3′′:5′,6′]pyrano[2′,3′:5,6]pyrano[3,2-b]pyrano[2′′′′′,3′′′′′:5′′′′,6′′′′]pyrano[2′′′′,3′′′′:5′′′,6′′′]pyrano[2′′′,3′′′:5′′,6′′]pyrano[2′′,3′′:6′,7′]oxepino[2′,3′:5,6]pyrano[2,3-g]oxocin, yessotoxin deriv.
  • (45R)-45-Hydroxyyessotoxin
  • 45-Hydroxyyessotoxin

CAS INSIGHTSTM
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