Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H30O7/c1-12-8-17(28-13(2)23)22-16(9-15(29-19(22)25)10-21(22)11-27-21)20(12,3)6-4-14-5-7-26-18(14)24/h12,14-17H,4-11H2,1-3H3/t12-,14+,15-,16-,17+,20+,21+,22+/m1/s1

InChIKey: InChIKey=QFRQJJFLIPONSG-YZVYZALOSA-N

Formula: C22H30O7

Molecular Weight: 406.470247

Exact Mass: 406.199153

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Rodriguez, B., DelaTorre, M.C., GomezSerranillos, P. Phytochemistry (1996) 41, 247-53

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) 27.6
2 (CH) 67.3
3 (CH2) 36.4
4 (C) 61.3
5 (C) 46.8
6 (CH) 72.4
7 (CH2) 32.1
8 (CH) 34.8
9 (C) 40
10 (CH) 41.7
11 (CH2) 33.6
12 (CH2) 22.2
13 (CH) 39.4
14 (CH2) 26.5
15 (CH2) 66.3
16 (C) 178.9
17 (CH3) 15.1
18 (CH2) 50.1
19 (C) 171
20 (CH3) 14.5
6a (C) 170.7
6b (CH3) 21.1