(2S,4S)-p-Menthane-1(7)-ene-2,8-diol 8-acetate

(2S,4S)-p-Menthane-1(7)-ene-2,8-diol 8-acetate

Common Name: (2S,4S)-p-Menthane-1(7)-ene-2,8-diol 8-acetate

Synonyms: (2S,4S)-p-Menthane-1(7)-ene-2,8-diol 8-acetate

CAS Registry Number:

InChI: InChI=1S/C12H20O3/c1-8-5-6-10(7-11(8)14)12(3,4)15-9(2)13/h10-11,14H,1,5-7H2,2-4H3/t10-,11-/m0/s1

InChIKey: InChIKey=XPTRDRYOOILSNZ-QWRGUYRKSA-N

Formula: C12H20O3

Molecular Weight: 212.285861

Exact Mass: 212.141245

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ngo, K.S., Wong, W.T., Brown, G.D. J Nat Prod (1999) 62, 549-53

Species:

Notes: Family : Terpenoids, Type : Monoterpenoids, Group : p-Menthanes; 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 (C) 151.2
2 (CH) 72.1
3 (CH2) 37.9
4 (CH) 44.7
5 (CH2) 28.2
6 (CH2) 33.3
7 (CH2) 103.8
8 (C) 84.2
9 (CH3) 23.4
10 (CH3) 23.7
8a (C) 170.2
8b (CH3) 22.5