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#1;SAUCERNEOL_F;THREO-1-(BENZO-[D]-[1.3]-DIOXOL-5-YL)-2-[4-[(2-ALPHA,3-ALPHA,4-BETA,5-BETA)-5-(BENZO-[D]-[1.3]-DIOXOL-5-YL)-3,4-DIMETHYLTETRAHYDROFURAN-2-YL]
SpectraBase Compound ID Bt8IcA3XQNm
InChI InChI=1S/C30H32O8/c1-16-17(2)30(21-6-9-23-27(13-21)36-15-34-23)38-29(16)20-7-10-24(25(12-20)32-4)37-18(3)28(31)19-5-8-22-26(11-19)35-14-33-22/h5-13,16-18,28-31H,14-15H2,1-4H3/t16-,17-,18?,28?,29+,30+/m1/s1
InChIKey XYQJFJKRYAIFAO-QWINLJBDSA-N
Mol Weight 520.6 g/mol
Molecular Formula C30H32O8
Exact Mass 520.209718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5uYuV9D4wqN
Name #1;SAUCERNEOL_F;THREO-1-(BENZO-[D]-[1.3]-DIOXOL-5-YL)-2-[4-[(2-ALPHA,3-ALPHA,4-BETA,5-BETA)-5-(BENZO-[D]-[1.3]-DIOXOL-5-YL)-3,4-DIMETHYLTETRAHYDROFURAN-2-YL]
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H32O8
InChI InChI=1S/C30H32O8/c1-16-17(2)30(21-6-9-23-27(13-21)36-15-34-23)38-29(16)20-7-10-24(25(12-20)32-4)37-18(3)28(31)19-5-8-22-26(11-19)35-14-33-22/h5-13,16-18,28-31H,14-15H2,1-4H3/t16-,17-,18?,28?,29+,30+/m1/s1
InChIKey XYQJFJKRYAIFAO-QWINLJBDSA-N
Literature Reference Author C.S.SEO,M.S.ZHENG,M.H.WOO,C.S.LEE,S.H.LEE,B.S.JEONG,H.W.CHAN G,E.S.LEE,J.K.SON
Literature Reference Citation J.NAT.PROD.,71,1771(2008)
Literature Reference DOI 10.1021/np8002723
Molecular Weight 520.579 g/mol
Sample ID 29199
Solvent CDCl3