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1-S-HYDROXY-1,2-DIHYDROSPHAEROCOCCENOL_A

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1-S-HYDROXY-1,2-DIHYDROSPHAEROCOCCENOL_A
SpectraBase Compound ID CV9BPoaoTY
InChI InChI=1S/C20H31BrO3/c1-12(2)13-5-6-14(22)16-17-18(3,9-10-20(13,16)11-21)8-7-15(23)19(17,4)24/h7-8,12-14,16-17,22,24H,5-6,9-11H2,1-4H3/t13-,14-,16-,17-,18-,19+,20-/m0/s1
InChIKey REIJBRJPDFHYHQ-SAURGQTRSA-N
Mol Weight 399.37 g/mol
Molecular Formula C20H31BrO3
Exact Mass 398.145658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HH7eMa0Kmua
Name 1-S-HYDROXY-1,2-DIHYDROSPHAEROCOCCENOL_A
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H31BrO3
InChI InChI=1S/C20H31BrO3/c1-12(2)13-5-6-14(22)16-17-18(3,9-10-20(13,16)11-21)8-7-15(23)19(17,4)24/h7-8,12-14,16-17,22,24H,5-6,9-11H2,1-4H3/t13-,14-,16-,17-,18-,19+,20-/m0/s1
InChIKey REIJBRJPDFHYHQ-SAURGQTRSA-N
Literature Reference Author V.SMYRNIOTOPOULOS,C.VAGIAS,M.M.RAHMAN,S.GIBBONS,V.ROUSSIS
Literature Reference Citation J.NAT.PROD.,71,1386(2008)
Literature Reference DOI 10.1021/np8001817
Molecular Weight 399.368 g/mol
Sample ID 28467
Solvent CDCl3