Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H22O7/c1-10-5-16-18-14(19(23)27-16)6-13(26-11(2)22)7-15(18)21(10)8-17(28-20(21)24)12-3-4-25-9-12/h3-4,9-10,13,15-17H,5-8H2,1-2H3/t10-,13+,15-,16-,17+,21-/m1/s1

InChIKey: InChIKey=GMHUPLXKKUACIO-JLPXZVHSSA-N

Formula: C21H22O7

Molecular Weight: 386.395985

Exact Mass: 386.136553

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Rodriguez, B., Jimeno, M.L. Magn Reson Chem (2004) 42, 605-16

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) 27.82
2 (CH) 66.73
3 (CH2) 25.52
4 (C) 123.74
5 (C) 161.74
6 (CH) 75.97
7 (CH2) 35.86
8 (CH) 38.51
9 (C) 52.17
10 (CH) 33.68
11 (CH2) 38.72
12 (CH) 71.71
13 (C) 125.03
14 (CH) 107.78
15 (CH) 144.42
16 (CH) 139.52
17 (CH3) 14.37
18 (C) 171.9
20 (C) 177.16
2a (C) 170.39
2b (CH3) 21.15