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CAMPHORATIN_D;7-BETA,14-ALPHA-DIHYDROXY-3,11-DIOXO-4-ALPHA-METHYLERGOSTA-8,24-(28)-DIEN-26-OIC_ACID
SpectraBase Compound ID 4boDK6blcrH
InChI InChI=1S/C29H42O6/c1-15(17(3)26(33)34)7-8-16(2)19-9-12-29(35)25-22(31)13-20-18(4)21(30)10-11-27(20,5)24(25)23(32)14-28(19,29)6/h16-20,22,31,35H,1,7-14H2,2-6H3,(H,33,34)/t16-,17?,18+,19-,20+,22+,27+,28-,29-/m1/s1
InChIKey FPSUTNLGRMMQOR-HZDNNQLKSA-N
Mol Weight 486.6 g/mol
Molecular Formula C29H42O6
Exact Mass 486.298139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CJ5LsrD9H3o
Name CAMPHORATIN_D;7-BETA,14-ALPHA-DIHYDROXY-3,11-DIOXO-4-ALPHA-METHYLERGOSTA-8,24-(28)-DIEN-26-OIC_ACID
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H42O6
InChI InChI=1S/C29H42O6/c1-15(17(3)26(33)34)7-8-16(2)19-9-12-29(35)25-22(31)13-20-18(4)21(30)10-11-27(20,5)24(25)23(32)14-28(19,29)6/h16-20,22,31,35H,1,7-14H2,2-6H3,(H,33,34)/t16-,17?,18+,19-,20+,22+,27+,28-,29-/m1/s1
InChIKey FPSUTNLGRMMQOR-HZDNNQLKSA-N
Literature Reference Author S.J.WU,Y.L.LEU,C.H.CHEN,C.H.CHAO,D.Y.SHEN,H.H.CHAN,E.J.LEE,T .S.WU,Y.H.WANG,Y.C.S
Literature Reference Citation J.NAT.PROD.,73,1756(2010)
Literature Reference DOI 10.1021/np1002143
Molecular Weight 486.649 g/mol
Sample ID 36124
Solvent C5D5N