Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H32N2O7/c1-14-19(33-15(2)28)10-24-13-32-22(30)25(24)18(11-26-27-25)5-6-21(24)23(14,4)9-20(34-16(3)29)17-7-8-31-12-17/h7-8,12,14,18-21H,5-6,9-11,13H2,1-4H3/t14-,18-,19-,20-,21-,23+,24+,25-/m1/s1

InChIKey: InChIKey=XKOKUJMIBLHNKB-CPSLVPIKSA-N

Formula: C25H32N2O7

Molecular Weight: 472.531822

Exact Mass: 472.220951

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Fontana, G., Savona, G., Rodriguez, B., Dersch, C.M., Rothman, R.B., Prisinzano, T.E. Tetrahedron (2008) 64, 10041-8

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) 18.7
2 (CH2) 28.8
3 (CH) 35.4
4 (C) 95.2
5 (C) 45.3
6 (CH2) 35.8
7 (CH) 73.4
8 (CH) 39.4
9 (C) 39.3
10 (CH) 44.4
11 (CH2) 42
12 (CH) 64.4
13 (C) 125.6
14 (CH) 108.6
15 (CH) 143.5
16 (CH) 140.1
17 (CH3) 12
18 (C) 170
19 (CH2) 70.6
20 (CH3) 19.1
3a (CH2) 81.8
7a (C) 169.78
7b (CH3) 21.4
12a (C) 169.82
12b (CH3) 21.2