Spektraris NMR
16ξ-Hydroxycleroda-3,11(E),13-trien-15,16-olide
Common Name: 16ξ-Hydroxycleroda-3,11(E),13-trien-15,16-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-13-6-5-7-16-19(13,3)10-8-14(2)20(16,4)11-9-15-12-17(21)23-18(15)22/h6,9,11-12,14,16,18,22H,5,7-8,10H2,1-4H3/b11-9+/t14-,16+,18?,19+,20+/m1/s1
InChIKey: InChIKey=OXAFASQBBRNFES-REYZEXSMSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Jones, W.P., Lobo-Echeverri, T., Mi, Q., Chai, H.B., Soejarto, D.D., Cordell, G.A., Swanson, S.M., Kinghorn, A.D. J Nat Prod (2007) 70, 372-7
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) | 21.3 |
| 2 (CH2) | 27.9 |
| 3 (CH) | 121.8 |
| 4 (C) | 144.8 |
| 5 (C) | 38.6 |
| 6 (CH2) | 36.6 |
| 7 (CH2) | 27.8 |
| 8 (CH) | 42.4 |
| 9 (C) | 46.2 |
| 10 (CH) | 51.8 |
| 11 (CH) | 157.6 |
| 12 (CH) | 120.5 |
| 13 (C) | 164.4 |
| 14 (CH) | 115.7 |
| 15 (C) | 173.9 |
| 16 (CH) | 100.3 |
| 17 (CH3) | 17.2 |
| 18 (CH3) | 18.2 |
| 19 (CH3) | 20.3 |
| 20 (CH3) | 12.5 |
