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(-)-(1S,3R,5R,6S,7S,8R,9R,12R,2'S)-6-[3'-BENZYLOXY-2'-METHYLPROPYL]-3-ETHOXY-9-METHYL-12-ISOPROPYL-2-OXATETRACYCLO-[6.4.0.0(3,7).0(5,9)]-DODECAN-6-OL
SpectraBase Compound ID CotClPvBgcg
InChI InChI=1S/C28H42O4/c1-6-31-28-15-22-26(5)13-12-21(18(2)3)24(32-28)23(26)25(28)27(22,29)14-19(4)16-30-17-20-10-8-7-9-11-20/h7-11,18-19,21-25,29H,6,12-17H2,1-5H3/t19-,21+,22+,23+,24?,25-,26-,27-,28+/m0/s1
InChIKey NSWBZJCELAUILU-KBHQMIEYSA-N
Mol Weight 442.6 g/mol
Molecular Formula C28H42O4
Exact Mass 442.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LsgYznzTLIS
Name (-)-(1S,3R,5R,6S,7S,8R,9R,12R,2'S)-6-[3'-BENZYLOXY-2'-METHYLPROPYL]-3-ETHOXY-9-METHYL-12-ISOPROPYL-2-OXATETRACYCLO-[6.4.0.0(3,7).0(5,9)]-DODECAN-6-OL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H42O4
InChI InChI=1S/C28H42O4/c1-6-31-28-15-22-26(5)13-12-21(18(2)3)24(32-28)23(26)25(28)27(22,29)14-19(4)16-30-17-20-10-8-7-9-11-20/h7-11,18-19,21-25,29H,6,12-17H2,1-5H3/t19-,21+,22+,23+,24?,25-,26-,27-,28+/m0/s1
InChIKey NSWBZJCELAUILU-KBHQMIEYSA-N
Literature Reference Author W.D.AICHBERGER,J.AIGNER,E.GOESSINGER,K.GRUBER,G.MENZ
Literature Reference Citation MH.CHEM.,125,991(1994)
Literature Reference DOI 10.1007/BF00812715
Molecular Weight 442.639 g/mol
Solvent CDCl3
Source File Reference UWPR1817