(1R,2R,6R,7R,8R,9R,12E)-6-Isopropyl-3,9,13-trimethyl-15-oxatricyclo[6.6.1.02,7]pentadeca-3,12-dien-9-yl acetate

(1R,2R,6R,7R,8R,9R,12E)-6-Isopropyl-3,9,13-trimethyl-15-oxatricyclo[6.6.1.02,7]pentadeca-3,12-dien-9-yl acetate

Common Name: (1R,2R,6R,7R,8R,9R,12E)-6-Isopropyl-3,9,13-trimethyl-15-oxatricyclo[6.6.1.02,7]pentadeca-3,12-dien-9-yl acetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H34O3/c1-13(2)17-10-9-15(4)19-18-12-14(3)8-7-11-22(6,25-16(5)23)21(24-18)20(17)19/h8-9,13,17-21H,7,10-12H2,1-6H3/b14-8+/t17-,18-,19-,20-,21-,22-/m1/s1

InChIKey: InChIKey=BYNSHSWWZXSBTC-XPFGILODSA-N

Formula: C22H34O3

Molecular Weight: 346.50439

Exact Mass: 346.250795

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Seo, Y.W., Rho, J.R., Cho, K.W., Shin, J. J Nat Prod (1997) 60, 171-4

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Eunicellanes; 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 (CH) 40.53
2 (CH) 87.69
3 (C) 89.31
4 (CH2) 32.43
5 (CH2) 22.9
6 (CH) 129.51
7 (C) 126.41
8 (CH2) 43.78
9 (CH) 80.94
10 (CH) 46.5
11 (C) 132.54
12 (CH) 121.4
13 (CH2) 22.9
14 (CH) 38.26
15 (CH3) 21.97
16 (CH3) 19.21
17 (CH3) 22.25
18 (CH) 28.56
19 (CH3) 20.18
20 (CH3) 21.7
3a (C) 169.81
3b (CH3) 22.86