Spektraris NMR
ent-16bH,17-isovalerate-kauran-19-oic acid
Common Name: ent-16bH,17-isovalerate-kauran-19-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H40O4/c1-16(2)12-21(26)29-15-18-14-25-11-8-19-23(3,20(25)7-6-17(18)13-25)9-5-10-24(19,4)22(27)28/h16-20H,5-15H2,1-4H3,(H,27,28)/t17-,18-,19+,20+,23-,24-,25+/m1/s1
InChIKey: InChIKey=ZOILZTWSQHWPGH-NHEUJGHNSA-N
Formula: C25H40O4
Molecular Weight: 404.583647
Exact Mass: 404.29266
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kim, Y.H., Kim, H.S., Lee, S.W., Uramoto, M., Lee, J.J. Phytochemistry (1995) 39, 449-51
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 40.7 |
| 2 (CH2) | 19.1 |
| 3 (CH2) | 37.8 |
| 4 (C) | 43.7 |
| 5 (CH) | 57 |
| 6 (CH2) | 22.4 |
| 7 (CH2) | 41.6 |
| 8 (C) | 44.9 |
| 9 (CH) | 55.3 |
| 10 (C) | 39.6 |
| 11 (CH2) | 18.8 |
| 12 (CH2) | 31.2 |
| 13 (CH) | 38.6 |
| 14 (CH2) | 37.1 |
| 15 (CH2) | 45 |
| 16 (CH) | 39.5 |
| 17 (CH2) | 68.4 |
| 18 (CH3) | 29 |
| 19 (C) | 184.4 |
| 20 (CH3) | 15.5 |
| 17a (C) | 173.5 |
| 17b (CH2) | 43.6 |
| 17c (CH) | 25.8 |
| 17d (CH3) | 22.4 |
| 17ca (CH3) | 22.4 |
