Spektraris NMR
11R*-Acetoxykolavenic acid
Common Name: 11R*-Acetoxykolavenic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O4/c1-14(13-20(24)25)12-19(26-17(4)23)22(6)16(3)10-11-21(5)15(2)8-7-9-18(21)22/h8,13,16,18-19H,7,9-12H2,1-6H3,(H,24,25)/b14-13+/t16-,18+,19-,21+,22+/m1/s1
InChIKey: InChIKey=QMNGBVSRMNPSBB-WHCNRNLASA-N
Formula: C22H34O4
Molecular Weight: 362.503795
Exact Mass: 362.24571
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) | 19.5 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 120.6 |
| 4 (C) | 144.6 |
| 5 (C) | 38.8 |
| 6 (CH2) | 36.9 |
| 7 (CH2) | 28.3 |
| 8 (CH) | 36.2 |
| 9 (C) | 43.4 |
| 10 (CH) | 47.5 |
| 11 (CH) | 76 |
| 12 (CH2) | 42.2 |
| 13 (C) | 160.1 |
| 14 (CH) | 118.1 |
| 15 (C) | 171.7 |
| 16 (CH3) | 19.1 |
| 17 (CH3) | 17.9 |
| 18 (CH3) | 18.3 |
| 19 (CH3) | 20.5 |
| 20 (CH3) | 12.1 |
| 11a (C) | 171 |
| 11b (CH3) | 21 |
