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Neriifolin, (3.beta.-O.alpha.-L-thevetosid,5.beta.-H)
SpectraBase Compound ID 2V1e6HlMrTw
InChI InChI=1S/C30H46O8/c1-16-24(32)26(35-4)25(33)27(37-16)38-19-7-10-28(2)18(14-19)5-6-22-21(28)8-11-29(3)20(9-12-30(22,29)34)17-13-23(31)36-15-17/h13,16,18-22,24-27,32-34H,5-12,14-15H2,1-4H3/t16-,18+,19-,20+,21-,22+,24-,25+,26+,27+,28-,29+,30-/m0/s1
InChIKey VPUNMTHWNSJUOG-PHCUYTKLSA-N
Mol Weight 534.7 g/mol
Molecular Formula C30H46O8
Exact Mass 534.319268 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JUfFeIGXV2T
Name NERIIFOLIN,(3-BETA-O-ALPHA-L-THEVETOSID,5-BETA-H)
CAS Registry Number 466-07-9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H46O8
InChI InChI=1S/C30H46O8/c1-16-24(32)26(35-4)25(33)27(37-16)38-19-7-10-28(2)18(14-19)5-6-22-21(28)8-11-29(3)20(9-12-30(22,29)34)17-13-23(31)36-15-17/h13,16,18-22,24-27,32-34H,5-12,14-15H2,1-4H3/t16-,18+,19-,20+,21-,22+,24-,25+,26+,27+,28-,29+,30-/m0/s1
InChIKey VPUNMTHWNSJUOG-PHCUYTKLSA-N
Literature Reference Author L.BROWN,H.T.A.CHEUNG,R.THOMAS,T.R.WATSON,J.L.E.NEMORIN
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1779(1981)
Literature Reference DOI 10.1039/p19810001779
Molecular Weight 534.690 g/mol
Solvent CDCl3:DMSO
Source File Reference UNIW8520