1,3(8)-Ochtodien-5,6(S*)-diol

1,3(8)-Ochtodien-5,6(S*)-diol

Common Name: 1,3(8)-Ochtodien-5,6(S*)-diol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C10H16O2/c1-4-7-5-8(11)9(12)10(2,3)6-7/h4,6,8-9,11-12H,1,5H2,2-3H3/t8?,9-/m1/s1

InChIKey: InChIKey=LGRVNVACYBVGTJ-YGPZHTELSA-N

Formula: C10H16O2

Molecular Weight: 168.233221

Exact Mass: 168.11503

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Paul, V.J., McConnell, O.J., Fenical, W. J Org Chem (1980) 45, 3401-7

Species:

Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Ochtodanes; 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)

Carbon NMR Peaks

Position PPM
1 (CH2) 112.6
2 (CH) 128.4
3 (C) 136.9
4 (CH2) 33.6
5 (CH) 68.2
6 (CH) 75.6
7 (C) 34.9
8 (CH) 139.7
9 (CH3) 27.2
10 (CH3) 24.8