Spektraris NMR

Common Name: (12S,20S)-4a,18-Epoxy-6a-hydroxy-neo-cleroda-13-en-20,12,19-acetaI-15,16-elide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H26O6/c1-11-7-15(21)20-10-24-17-19(11,14(20)3-2-5-18(20)9-25-18)8-13(26-17)12-4-6-23-16(12)22/h4,11,13-15,17,21H,2-3,5-10H2,1H3/t11-,13+,14-,15+,17?,18+,19-,20+/m1/s1

InChIKey: InChIKey=BKEOOLHZJPTFEY-ASXVTQARSA-N

Formula: C20H26O6

Molecular Weight: 362.417607

Exact Mass: 362.172939

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Malakov, P.Y., Papanov, G.Y., Rodriguez, B., Delatorre, M.C., Simmonds, M.S.J., Blaney, W.M., Boneva, I.M. Phytochemistry (1994) 37, 147-57

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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)