John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=6p6IXXcgzAZ SpectraBase Spectrum ID=1jBLmDaDXcH

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DANKASTERONE_A
SpectraBase Compound ID 6p6IXXcgzAZ
InChI InChI=1S/C28H40O3/c1-17(2)18(3)7-8-19(4)21-9-10-25(31)28-16-23(30)22-15-20(29)11-13-26(22,5)24(28)12-14-27(21,28)6/h7-8,15,17-19,21,24H,9-14,16H2,1-6H3/b8-7+/t18-,19+,21+,24+,26-,27+,28-/m0/s1
InChIKey MHVQURVXZWOWCF-VODCKUOWSA-N
Mol Weight 424.6 g/mol
Molecular Formula C28H40O3
Exact Mass 424.297745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1jBLmDaDXcH
Name DANKASTERONE_A
Compound Number 2
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H40O3
InChI InChI=1S/C28H40O3/c1-17(2)18(3)7-8-19(4)21-9-10-25(31)28-16-23(30)22-15-20(29)11-13-26(22,5)24(28)12-14-27(21,28)6/h7-8,15,17-19,21,24H,9-14,16H2,1-6H3/b8-7+/t18-,19+,21+,24+,26-,27+,28-/m0/s1
InChIKey MHVQURVXZWOWCF-VODCKUOWSA-N
Literature Reference Author T.AMAGATA,M.TANAKA,T.YAMADA,M.DOI,K.MINOURA,H.OHISHI,T.YAMOR I,A.NUMATA
Literature Reference Citation J.NAT.PROD.,70,1731(2007)
Literature Reference DOI 10.1021/np070165m
Molecular Weight 424.624 g/mol
Sample ID 31018
Solvent CDCl3
SpectraBase Batch ID GEiH50qZrJq