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Phenanthro[3,2-b]furan-4-carboxylic acid, 1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydro-4,7,11b-trimethyl-, methyl ester, (4S,4aR,6aS,7R,11aS,11bR)-

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Phenanthro[3,2-b]furan-4-carboxylic acid, 1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydro-4,7,11b-trimethyl-, methyl ester, (4S,4aR,6aS,7R,11aS,11bR)-
SpectraBase Compound ID Hj55eXSStyP
InChI InChI=1S/C21H30O3/c1-13-14-6-7-18-20(2,9-5-10-21(18,3)19(22)23-4)16(14)12-17-15(13)8-11-24-17/h8,11,13-14,16,18H,5-7,9-10,12H2,1-4H3
InChIKey CKWZZMAZBSXPHZ-UHFFFAOYSA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GVS8IESpfuu
Name Vinhaticoic acid, methyl ester
CAS Registry Number 4614-50-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-13-14-6-7-18-20(2,9-5-10-21(18,3)19(22)23-4)16(14)12-17-15(13)8-11-24-17/h8,11,13-14,16,18H,5-7,9-10,12H2,1-4H3
InChIKey CKWZZMAZBSXPHZ-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference J.D. Connolly, F. Orsini, F. Pelizzoni, Org. Magn. Resonance 17, 163 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Pyridine-D5