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Pateamine
SpectraBase Compound ID jz8eoudyPu
InChI InChI=1S/C31H45N3O4S/c1-21(13-14-34(6)7)11-12-23(3)16-27-19-29-33-28(20-39-29)24(4)17-26(32)18-31(36)37-25(5)15-22(2)9-8-10-30(35)38-27/h8-13,16,20,24-27H,14-15,17-19,32H2,1-7H3/b10-8-,12-11+,21-13+,22-9+,23-16+
InChIKey DSPNTLCJTJBXTD-DUVSFDJRSA-N
Mol Weight 555.8 g/mol
Molecular Formula C31H45N3O4S
Exact Mass 555.313078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1pDgpscbMod
Name Pateamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H45N3O4S
InChI InChI=1S/C31H45N3O4S/c1-21(13-14-34(6)7)11-12-23(3)16-27-19-29-33-28(20-39-29)24(4)17-26(32)18-31(36)37-25(5)15-22(2)9-8-10-30(35)38-27/h8-13,16,20,24-27H,14-15,17-19,32H2,1-7H3/b10-8-,12-11+,21-13+,22-9+,23-16+
InChIKey DSPNTLCJTJBXTD-DUVSFDJRSA-N
Molecular Weight 555.778 g/mol
SMILES NC1CC(OC(C\C(=C\C=C/C(OC(Cc2nc(cs2)C(C1)C)\C=C\(\C=C\C(=C\CN(C)C)C)C)=O)C)C)=O
SPLASH splash10-0a4i-4501090000-b6e01542f195a8b8be42
Source of Spectrum AT-32-6414-1
Synonyms (6Z,8E)-15-amino-3-[(1E,3E,5E)-7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trienyl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]heneicosa-1(21),6,8,18-tetraene-5,13-dione (6Z,8E)-15-amino-3-[(1E,3E,5E)-7-(dimethylamino)-2,5-dimethylhepta-1,3,5-trienyl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione (6Z,8E)-15-amino-3-[(1E,3E,5E)-7-(dimethylamino)-2,5-dimethyl-hepta-1,3,5-trienyl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione (6Z,8E)-15-azanyl-3-[(1E,3E,5E)-7-(dimethylamino)-2,5-dimethyl-hepta-1,3,5-trienyl]-9,11,17-trimethyl-4,12-dioxa-20-thia-21-azabicyclo[16.2.1]henicosa-1(21),6,8,18-tetraene-5,13-dione
Wiley ID 836033