Spektraris NMR

Common Name: (±)-(1R,3S,6S,7S,8S)-3-Hydroxy-6,8-dimethyltricyclo-[5.3.1]undecan-2-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C13H20O2/c1-8-3-6-13(15)11(14)9-4-5-12(13,2)10(8)7-9/h8-10,15H,3-7H2,1-2H3/t8-,9-,10-,12-,13+/m0/s1

InChIKey: InChIKey=NSPVVMQIRAWTTD-ZIIUWJBSSA-N

Formula: C13H20O2

Molecular Weight: 208.297192

Exact Mass: 208.14633

NMR Solvent: C6D6

MHz:

Calibration:

NMR references: 13C - Kraft, P., Weymuth, C., Nussbaumer, C. Eur J Org Chem (2006) 0, 1403-12

Species:

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