Spektraris NMR

Common Name: (1S,6R,7S,10R,11S)-2-Oxo-1,10-dinitroguai-3-en-6-ol-11,8-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H18N2O8/c1-6-4-9(19)15(17(23)24)11(6)12-10(7(2)13(20)25-12)8(18)5-14(15,3)16(21)22/h4,7-8,10-12,18H,5H2,1-3H3/t7-,8+,10+,11-,12-,14-,15+/m1/s1

InChIKey: InChIKey=PJVJVERLPCTBFR-SFWBQVDNSA-N

Formula: C15H18N2O8

Molecular Weight: 354.312698

Exact Mass: 354.106316

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Alebastrov, O.V., Raldugin, V.A., Bagryanskaya, I.Y., Gatilov, Y.V., Shakirov, M.M., Kulyyasov, A.T., Adekenov, S.M. Chem Nat Compd (2003) 39, 362-5

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)