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3b-Acetoxy-ergosta-7,22-dien-11-one
SpectraBase Compound ID CwVg85NkuPY
InChI InChI=1S/C30H46O3/c1-18(2)19(3)8-9-20(4)25-12-13-26-24-11-10-22-16-23(33-21(5)31)14-15-29(22,6)28(24)27(32)17-30(25,26)7/h8-9,11,18-20,22-23,25-26,28H,10,12-17H2,1-7H3/b9-8+
InChIKey DZTSQAKYQXETIH-CMDGGOBGSA-N
Mol Weight 454.7 g/mol
Molecular Formula C30H46O3
Exact Mass 454.344695 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Gmro6hyObd
Name 3b-Acetoxy-ergosta-7,22-dien-11-one
CAS Registry Number 53368-38-0
Comments SHIFT OF 184.5 PPM REPORTED FOR C11 MUST BE IN ERROR (FOLDED?)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C30H46O3
InChI InChI=1S/C30H46O3/c1-18(2)19(3)8-9-20(4)25-12-13-26-24-11-10-22-16-23(33-21(5)31)14-15-29(22,6)28(24)27(32)17-30(25,26)7/h8-9,11,18-20,22-23,25-26,28H,10,12-17H2,1-7H3/b9-8+
InChIKey DZTSQAKYQXETIH-CMDGGOBGSA-N
Instrument Name Varian XL-100
Literature Reference R.J. Abraham, J.R. Monasterios, J. Chem. Soc. Perkin II 662 (1974).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3