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Dorsamin-A739
SpectraBase Compound ID 9e9UukyjauP
InChI InChI=1S/C46H77NO6/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-33-37-45(49)53-42(40-52-46(50)43(47)38-41-34-30-29-31-35-41)39-51-44(48)36-32-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,29-31,34-35,38,42H,3-16,19-28,32-33,36-37,39-40,47H2,1-2H3/b18-17+,43-38-/t42-/m1/s1
InChIKey ZZLSGRHAZBJPTB-YLBMXLNKSA-N
Mol Weight 740.1 g/mol
Molecular Formula C46H77NO6
Exact Mass 739.575089 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9qHSjyUAXHs
Name Dorsamin-A739
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H77NO6
InChI InChI=1S/C46H77NO6/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-33-37-45(49)53-42(40-52-46(50)43(47)38-41-34-30-29-31-35-41)39-51-44(48)36-32-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,29-31,34-35,38,42H,3-16,19-28,32-33,36-37,39-40,47H2,1-2H3/b18-17+,43-38-/t42-/m1/s1
InChIKey ZZLSGRHAZBJPTB-YLBMXLNKSA-N
Instrument Name Shimadzu GCMS-QP2010 Plus
Ionization Type EI
Literature Reference DOI 10.1021/np300713c
Molecular Weight 740.123 g/mol
Optical Rotation [a]25D = +38 (c = 0.3, CHCl3)
Reported Formula C46H78NO6
SMILES N\C(=C/c1ccccc1)C(OC[C@@](COC(CCCCCCCCCCCCCCC)=O)(OC(=O)CCCCCCC\C=C\CCCCCCCC)[H])=O
SPLASH splash10-056r-5010090000-1b4a89edebe5eef3ba80
Source of Spectrum G4-76-557-4
Wiley ID 1854899