Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H26N2O5/c1-18-8-15(12-3-6-26-10-12)28-19(18,2)4-5-20-11-27-17(25)21(20)13(9-22-23-21)14(24)7-16(18)20/h3,6,10,13-16,24H,4-5,7-9,11H2,1-2H3/t13-,14+,15+,16+,18+,19-,20-,21+/m0/s1
InChIKey: InChIKey=KBACYWZBXOQSBK-NSDRKUFRSA-N
Formula: C21H26N2O5
Molecular Weight: 386.442424
Exact Mass: 386.184172
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - Fontana, G., Savona, G., Rodriguez, B. J Nat Prod (2006) 69, 1734-8
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)
Position | PPM |
---|---|
1 (CH2) | 31.4 |
2 (CH) | 72.9 |
3 (CH) | 45.2 |
4 (C) | 98.3 |
5 (C) | 45.34 |
6 (CH2) | 28.6 |
7 (CH2) | 30.6 |
8 (C) | 85.1 |
9 (C) | 47 |
10 (CH) | 41.4 |
11 (CH2) | 45.34 |
12 (CH) | 71.4 |
13 (C) | 129.8 |
14 (CH) | 110 |
15 (CH) | 144.6 |
16 (CH) | 140.6 |
17 (CH3) | 27.3 |
18 (C) | 171.8 |
19 (CH2) | 70 |
20 (CH3) | 17.5 |
3a (CH2) | 80.8 |