Spektraris NMR

Common Name: (7S, 9S, 10S)-3,9,12-trihydroxycalamenene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H22O3/c1-8-4-13-11(9(2)7-16)5-15(18)10(3)12(13)6-14(8)17/h4,6,9-11,15-18H,5,7H2,1-3H3/t9?,10-,11+,15+/m1/s1

InChIKey: InChIKey=MGBUZVXHLLSUJN-BWZYVIJJSA-N

Formula: C15H22O3

Molecular Weight: 250.33395

Exact Mass: 250.156895

NMR Solvent:

MHz:

Calibration:

NMR references: 13C - Silva, G.H., Teles, H.L., Zanardi, L.M., Marx Young, M.C., Eberlin, M.N., Hadad, R., Pfenning, L.H., Costa-Neto, C.M., Castro-Gamboa, I., da Silva Bolzani, V., Araujo, A.R. Phytochemistry (2006) 67, 1964-9

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Calamenenes; 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)