Spektraris NMR

Common Name: (5S,6S,7S,11R)-3-Hydroxy-1(10),3-guaiadiene-12,6-olide-2-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H18O4/c1-6-4-5-9-7(2)15(18)19-14(9)11-8(3)12(16)13(17)10(6)11/h7,9,11,14,16H,4-5H2,1-3H3/t7-,9+,11+,14+/m1/s1

InChIKey: InChIKey=WCDGXEDYJMJQRX-QJFNMGJDSA-N

Formula: C15H18O4

Molecular Weight: 262.301592

Exact Mass: 262.120509

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Wang, D., Yang, L., Guan, H., Chen, Y.N., Xu, W.Z., You, S. J Asian Nat Prod Res (2009) 11, 991-6

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)