Spektraris NMR
ent-16,17-Diacetoxykauran-16-oic acid
Common Name: ent-16,17-Diacetoxykauran-16-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O6/c1-15(25)29-14-24(30-16(2)26)13-23-11-8-18-21(3,19(23)7-6-17(24)12-23)9-5-10-22(18,4)20(27)28/h17-19H,5-14H2,1-4H3,(H,27,28)/t17-,18+,19+,21-,22-,23+,24+/m1/s1
InChIKey: InChIKey=PDMLWQRUTOFRTQ-DWAKBZQMSA-N
Formula: C24H36O6
Molecular Weight: 420.539958
Exact Mass: 420.251189
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fatope, M.O., Audu, O.T., Takeda, Y., Zeng, L., Shi, G., Shimada, H., McLaughlin, J.L. J Nat Prod (1996) 59, 301-3
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) | 41.2 |
| 5 (CH) | 56 |
| 6 (CH2) | 20.9 |
| 7 (CH2) | 39.7 |
| 8 (C) | 43.7 |
| 9 (CH) | 56.8 |
| 10 (C) | 41.6 |
| 11 (CH2) | 19.1 |
| 12 (CH2) | 27 |
| 13 (CH) | 43.3 |
| 14 (CH2) | 50.6 |
| 15 (CH2) | 37.2 |
| 16 (C) | 87 |
| 17 (CH2) | 66.2 |
| 18 (CH3) | 28.9 |
| 19 (C) | 183.7 |
| 20 (CH3) | 15.4 |
| 16a (C) | 170.7 |
| 16b (CH3) | 21.8 |
| 17a (C) | 171 |
| 17b (CH3) | 21.6 |
