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METHYL-[1R-(1-ALPHA,4A-BETA,7-BETA,8-BETA,10A-ALPHA)]-1,2,3,4A,5,6,7,8,9,10A-DODECAHYDRO-7,8-DIHYDROXY-1,4A-DIMETHYL-7-(1-METHYLETHYL)-PHENANTHREN
SpectraBase Compound ID KlgJ5hHpKyC
InChI InChI=1S/C21H34O4/c1-13(2)21(24)12-9-15-14(17(21)22)7-8-16-19(15,3)10-6-11-20(16,4)18(23)25-5/h13,16-17,22,24H,6-12H2,1-5H3/t16-,17+,19-,20-,21+/m1/s1
InChIKey KGBHADWQRUIUEF-ZVXZJYCBSA-N
Mol Weight 350.5 g/mol
Molecular Formula C21H34O4
Exact Mass 350.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2u3n2M9V8i9
Name METHYL-[1R-(1-ALPHA,4A-BETA,7-BETA,8-BETA,10A-ALPHA)]-1,2,3,4A,5,6,7,8,9,10A-DODECAHYDRO-7,8-DIHYDROXY-1,4A-DIMETHYL-7-(1-METHYLETHYL)-PHENANTHREN
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H34O4
InChI InChI=1S/C21H34O4/c1-13(2)21(24)12-9-15-14(17(21)22)7-8-16-19(15,3)10-6-11-20(16,4)18(23)25-5/h13,16-17,22,24H,6-12H2,1-5H3/t16-,17+,19-,20-,21+/m1/s1
InChIKey KGBHADWQRUIUEF-ZVXZJYCBSA-N
Literature Reference Author E.HASLINGER,A.HUEFNER
Literature Reference Citation MH.CHEM.,126,1109(1995)
Literature Reference DOI 10.1007/BF00811381
Molecular Weight 350.499 g/mol
Solvent CDCl3
Source File Reference UWGN1