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Ajugarin-I

View entire compound with spectra: 5 NMR

Ajugarin-I
SpectraBase Compound ID HVeSzvnV3R8
InChI InChI=1S/C24H34O7/c1-15-10-20(31-17(3)26)24(14-29-16(2)25)19(6-5-8-23(24)13-30-23)22(15,4)9-7-18-11-21(27)28-12-18/h11,15,19-20H,5-10,12-14H2,1-4H3
InChIKey RNYBNBANBCQZON-UHFFFAOYSA-N
Mol Weight 434.5 g/mol
Molecular Formula C24H34O7
Exact Mass 434.230453 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FKAM0ADrAG5
Name 1a-Acetoxy-9a-acetoxymethyl-8b,8'-epoxy-3a,4a-dimethyl-4b-(2-[4-oxa-cyclopent-3-ene-2-onyl]-ethyl)-trans-decalin
CAS Registry Number 78854-51-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C24H34O7
InChI InChI=1S/C24H34O7/c1-15-10-20(31-17(3)26)24(14-29-16(2)25)19(6-5-8-23(24)13-30-23)22(15,4)9-7-18-11-21(27)28-12-18/h11,15,19-20H,5-10,12-14H2,1-4H3
InChIKey RNYBNBANBCQZON-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference J.M. Luteijn, A. De Groot, Org. Magn. Resonance 19, 95 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3