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(22E)-Ergosta-5,7,22-trien-3-yl acetate

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(22E)-Ergosta-5,7,22-trien-3-yl acetate
SpectraBase Compound ID 8JU4KPJNYsf
InChI InChI=1S/C30H46O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h8-11,19-21,24,26-28H,12-18H2,1-7H3/b9-8+
InChIKey NGEVNHYPVVOXPB-CMDGGOBGSA-N
Mol Weight 438.7 g/mol
Molecular Formula C30H46O2
Exact Mass 438.349781 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3cK6JsK9E08
Name Ergosterol acetate
CAS Registry Number 2418-45-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C30H46O2
InChI InChI=1S/C30H46O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h8-11,19-21,24,26-28H,12-18H2,1-7H3/b9-8+
InChIKey NGEVNHYPVVOXPB-CMDGGOBGSA-N
Instrument Name Jeol FX-60
Literature Reference W.B. Smith, Org. Magn. Resonance 9, 645 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3