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NEPHELIOSYNE-A
SpectraBase Compound ID DdhDEGSy29C
InChI InChI=1S/C47H70O11/c1-2-38(48)29-30-40(50)24-21-22-25-41(51)32-34-42(52)33-31-39(49)23-17-13-11-12-16-20-28-46(56)45(55)27-19-15-10-8-6-4-3-5-7-9-14-18-26-43(53)37-44(54)35-36-47(57)58/h1,11-12,21-22,29-30,38-44,46,48-54,56H,3-10,13-20,23-28,37H2,(H,57,58)/b12-11-,22-21+,30-29+
InChIKey MCNDDHLCPJUEBD-VRAXCDOKSA-N
Mol Weight 811.1 g/mol
Molecular Formula C47H70O11
Exact Mass 810.491813 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C6zqHqpmtV6
Name NEPHELIOSYNE-A
Compound Number 1
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H70O11
InChI InChI=1S/C47H70O11/c1-2-38(48)29-30-40(50)24-21-22-25-41(51)32-34-42(52)33-31-39(49)23-17-13-11-12-16-20-28-46(56)45(55)27-19-15-10-8-6-4-3-5-7-9-14-18-26-43(53)37-44(54)35-36-47(57)58/h1,11-12,21-22,29-30,38-44,46,48-54,56H,3-10,13-20,23-28,37H2,(H,57,58)/b12-11-,22-21+,30-29+
InChIKey MCNDDHLCPJUEBD-VRAXCDOKSA-N
Literature Reference Author N.LEGRAVE,S.HAMROUNI-BUONOMO,M.DUFIES,V.GUERINEAU,J.VACELET, P.AUBERGER,P.AMDE,M.
Literature Reference Citation MAR.DRUGS,11,2282(2013)
Literature Reference DOI 10.3390/md11072282
Molecular Weight 811.066 g/mol
Source File Reference UWLU74889