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Dorsamin-A765
SpectraBase Compound ID CYW2cSnIosU
InChI InChI=1S/C48H79NO6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-38-46(50)53-41-44(42-54-48(52)45(49)40-43-36-32-31-33-37-43)55-47(51)39-35-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,31-33,36-37,40,44H,3-16,21-30,34-35,38-39,41-42,49H2,1-2H3/b19-17+,20-18+,45-40-/t44-/m1/s1
InChIKey PBTGPQHPZXESGE-BZGWPMHZSA-N
Mol Weight 766.2 g/mol
Molecular Formula C48H79NO6
Exact Mass 765.590739 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G3WmuKkS9nY
Name Dorsamin-A765
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H79NO6
InChI InChI=1S/C48H79NO6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-38-46(50)53-41-44(42-54-48(52)45(49)40-43-36-32-31-33-37-43)55-47(51)39-35-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,31-33,36-37,40,44H,3-16,21-30,34-35,38-39,41-42,49H2,1-2H3/b19-17+,20-18+,45-40-/t44-/m1/s1
InChIKey PBTGPQHPZXESGE-BZGWPMHZSA-N
Instrument Name Shimadzu GCMS-QP2010 Plus
Ionization Type EI
Literature Reference DOI 10.1021/np300713c
Molecular Weight 766.161 g/mol
Optical Rotation [a]25D = +61 (c = 0.2, CHCl3)
Reported Formula C48H80NO6
SMILES N\C(=C/c1ccccc1)C(OC[C@@](COC(CCCCCCC\C=C\CCCCCCCC)=O)(OC(=O)CCCCCCC\C=C\CCCCCCCC)[H])=O
SPLASH splash10-0zfr-7010009000-e0e93288d5293a876c7d
Source of Spectrum G4-76-556-3
Wiley ID 1854898