Tolytoxin

CAS Registry Number®

127999-44-4
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CAS Name

Tolytoxin

Molecular Formula

C46H75NO13

Molecular Mass

850.09

Cite this Page

Tolytoxin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=127999-44-4 (retrieved 2024-09-20) (CAS RN: 127999-44-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C46H75NO13/c1-28-16-19-42(51)60-45(33(6)43(52)29(2)17-18-36(49)31(4)44(57-12)30(3)20-21-47(7)27-48)32(5)38(53-8)25-41(56-11)46(26-58-46)40(55-10)24-35-15-13-14-34(59-35)23-39(54-9)37(50)22-28/h13-14,16,19-22,27,29-35,37-41,43-45,50,52H,15,17-18,23-26H2,1-12H3/b19-16+,21-20+,28-22+/t29-,30+,31-,32-,33-,34-,35-,37-,38+,39+,40-,41-,43-,44+,45-,46-/m0/s1

InChIKey

InChIKey=FTGOWEQDZZMPNJ-GUMZKTDUSA-N

SMILES

O(C)[C@@H]1[C@@]2([C@@H](OC)C[C@]3(O[C@](C[C@@H](OC)[C@@H](O)\C=C(/C)\C=C\C(=O)O[C@]([C@H]([C@H]([C@H](CCC([C@@H]([C@@H]([C@@H](/C=C/N(C=O)C)C)OC)C)=O)C)O)C)([C@@H](C)[C@H](OC)C1)[H])(C=CC3)[H])[H])CO2

Canonical SMILES

O=CN(C=CC(C)C(OC)C(C(=O)CCC(C)C(O)C(C)C1OC(=O)C=CC(=CC(O)C(OC)CC2OC(CC=C2)CC(OC)C3(OC3)C(OC)CC(OC)C1C)C)C)C

Other Names for this Substance

  • Formamide, N-[(1E,3R,4R,5R,9S,10S,11S)-10-hydroxy-11-[(1S,2′S,3S,5S,7R,8S,9R,12E,14E,16S,17R,19R)-16-hydroxy-3,5,7,17-tetramethoxy-8,14-dimethyl-11-oxospiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2′-oxiran]-9-yl]-4-methoxy-3,5,9-trimethyl-6-oxo-1-dodecen-1-yl]-N-methyl-
  • Scytophycin B, 6-hydroxy-7-O-methyl-, (6S)-
  • Formamide, N-[(1E,3R,4R,5R,9S,10S,11S)-10-hydroxy-11-[(1S,2′S,3S,5S,7R,8S,9R,12E,14E,16S,17R,19R)-16-hydroxy-3,5,7,17-tetramethoxy-8,14-dimethyl-11-oxospiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2′-oxiran]-9-yl]-4-methoxy-3,5,9-trimethyl-6-oxo-1-dodecenyl]-N-methyl-
  • Spiro[10,23-dioxabicyclo[17.3.1]tricosane-4,2′-oxirane], scytophycin B deriv.
  • N-[(1E,3R,4R,5R,9S,10S,11S)-10-Hydroxy-11-[(1S,2′S,3S,5S,7R,8S,9R,12E,14E,16S,17R,19R)-16-hydroxy-3,5,7,17-tetramethoxy-8,14-dimethyl-11-oxospiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2′-oxiran]-9-yl]-4-methoxy-3,5,9-trimethyl-6-oxo-1-dodecen-1-yl]-N-methylformamide

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