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METHYLGRAVIPHANE;1'-METHOXY-1,3,3'-TRIHYDROXYTURRIANE
SpectraBase Compound ID 8eQRtpwdYTQ
InChI InChI=1S/C27H38O4/c1-31-25-19-22(28)18-21-15-13-11-9-7-5-3-2-4-6-8-10-12-14-20-16-23(29)27(26(21)25)24(30)17-20/h16-19,28-30H,2-15H2,1H3
InChIKey VHTRJVITHPENFV-UHFFFAOYSA-N
Mol Weight 426.6 g/mol
Molecular Formula C27H38O4
Exact Mass 426.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AEz1gJvPCvV
Name Methylgraviphane
Appearance White, amorphous powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38O4
InChI InChI=1S/C27H38O4/c1-31-25-19-22(28)18-21-15-13-11-9-7-5-3-2-4-6-8-10-12-14-20-16-23(29)27(26(21)25)24(30)17-20/h16-19,28-30H,2-15H2,1H3
InChIKey VHTRJVITHPENFV-UHFFFAOYSA-N
Instrument Name VG 70-250S
Ionization Type EI
Literature Reference DOI 10.1021/np0605687
Molecular Weight 426.597 g/mol
Reported Formula C27H38O4
SMILES Oc1cc(c-2c(CCCCCCCCCCCCCCc3cc(c2c(c3)O)O)c1)OC
SPLASH splash10-004i-0010900000-c93ca5df74c4f509fc7f
Source of Spectrum G4-70-322-8
Wiley ID 1874406