Spektraris NMR
11R*-Acetoxy-3β-hydroxyneocleroda-4(18),13E-dien-15-oic acid
Common Name: 11R*-Acetoxy-3β-hydroxyneocleroda-4(18),13E-dien-15-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O5/c1-13(12-20(25)26)11-19(27-16(4)23)22(6)14(2)9-10-21(5)15(3)17(24)7-8-18(21)22/h12,14,17-19,24H,3,7-11H2,1-2,4-6H3,(H,25,26)/b13-12+/t14-,17+,18+,19-,21+,22+/m1/s1
InChIKey: InChIKey=VTPJBCUNWKVPKU-BNSLJBOUSA-N
Formula: C22H34O5
Molecular Weight: 378.5032
Exact Mass: 378.240624
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Oliveira, P.M., Ferreira, A.A., Silveira, D., Alves, R.B., Rodrigues, G.V., Emerenciano, V.P., Raslan, D.S. J Nat Prod (2005) 68, 588-91
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) | 21.4 |
| 2 (CH2) | 37.6 |
| 3 (CH) | 69.4 |
| 4 (C) | 161.6 |
| 5 (C) | 40.5 |
| 6 (CH2) | 37.4 |
| 7 (CH2) | 27.9 |
| 8 (CH) | 36.5 |
| 9 (C) | 43.9 |
| 10 (CH) | 49.2 |
| 11 (CH) | 75.5 |
| 12 (CH2) | 42 |
| 13 (C) | 159.3 |
| 14 (CH) | 117.9 |
| 15 (C) | 170.6 |
| 16 (CH3) | 19 |
| 17 (CH3) | 17.8 |
| 18 (CH2) | 99.9 |
| 19 (CH3) | 21.4 |
| 20 (CH3) | 11.9 |
| 11a (C) | 170.7 |
| 11b (CH3) | 20.8 |
