Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H34O4/c1-14(10-12-22)13-18(23)21(4)15(2)9-11-20(3)16(19(24)25-5)7-6-8-17(20)21/h7,10,15,17-18,22-23H,6,8-9,11-13H2,1-5H3/b14-10+/t15-,17+,18-,20+,21+/m1/s1
InChIKey: InChIKey=YOEGHBCQNIULHG-OWEUBYQTSA-N
Formula: C21H34O4
Molecular Weight: 350.493059
Exact Mass: 350.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Carbone, M., Gavagnin, M., Mollo, E., Bidello, M., Roussis, V., Cimino, G. Tetrahedron (2008) 64, 191-6
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) | 18.2 |
2 (CH2) | 27.3 |
3 (CH) | 136.2 |
4 (C) | 142.8 |
5 (C) | 38 |
6 (CH2) | 35.8 |
7 (CH2) | 28.4 |
8 (CH) | 35.9 |
9 (C) | 42.9 |
10 (CH) | 46.5 |
11 (CH) | 74.2 |
12 (CH2) | 42.6 |
13 (C) | 137.8 |
14 (CH) | 126.9 |
15 (CH2) | 59.3 |
16 (CH3) | 16.4 |
17 (CH3) | 18.6 |
18 (C) | 167.9 |
19 (CH3) | 21 |
20 (CH3) | 12.5 |
18a (CH3) | 51.2 |