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3-Acetoxy-5a-ergosta-7,22-dien-6-one
SpectraBase Compound ID FOG0pONEwA4
InChI InChI=1S/C30H46O3/c1-18(2)19(3)8-9-20(4)24-10-11-25-23-17-28(32)27-16-22(33-21(5)31)12-14-30(27,7)26(23)13-15-29(24,25)6/h8-9,17-20,22,24-27H,10-16H2,1-7H3/b9-8+
InChIKey QNSOCDXXOMBZGN-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 8gns7ZtlJy
Name 3-Acetoxy-5a-ergosta-7,22-dien-6-one
CAS Registry Number 2529-97-7
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)24-10-11-25-23-17-28(32)27-16-22(33-21(5)31)12-14-30(27,7)26(23)13-15-29(24,25)6/h8-9,17-20,22,24-27H,10-16H2,1-7H3/b9-8+
InChIKey QNSOCDXXOMBZGN-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