Spektraris NMR
16b-Hydroxy-ent-kauran-19-oic acid-19-[a-L-arabinopyranosyl-(1-->2)-b-D-glucopyranosyl]-ester
![16b-Hydroxy-ent-kauran-19-oic acid-19-[a-L-arabinopyranosyl-(1-->2)-b-D-glucopyranosyl]-ester](/nmr/static/nmr/svg/16829.svg)
Common Name: 16b-Hydroxy-ent-kauran-19-oic acid-19-[a-L-arabinopyranosyl-(1-->2)-b-D-glucopyranosyl]-ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H50O12/c1-28-8-4-9-29(2,18(28)7-10-31-11-15(5-6-19(28)31)30(3,39)14-31)27(38)43-26-24(22(36)21(35)17(12-32)41-26)42-25-23(37)20(34)16(33)13-40-25/h15-26,32-37,39H,4-14H2,1-3H3/t15-,16+,17-,18+,19+,20+,21-,22+,23-,24-,25+,26+,28-,29-,30-,31+/m1/s1
InChIKey: InChIKey=RAMZOIXSGZNZAP-GQEXHLRCSA-N
Formula: C31H50O12
Molecular Weight: 614.72271
Exact Mass: 614.330227
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kos, O., Castro, V., Murillo, R., Poveda, L., Merfort, I. Phytochemistry (2006) 67, 62-9
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) | 41.8 |
| 2 (CH2) | 20.5 |
| 3 (CH2) | 38.4 |
| 4 (C) | 45.3 |
| 5 (CH) | 58.6 |
| 6 (CH2) | 22.9 |
| 7 (CH2) | 43.3 |
| 8 (C) | 46.4 |
| 9 (CH) | 57.4 |
| 10 (C) | 40.9 |
| 11 (CH2) | 19.3 |
| 12 (CH2) | 27.8 |
| 13 (CH) | 49.6 |
| 14 (CH2) | 38.5 |
| 15 (CH2) | 58.9 |
| 16 (C) | 78.2 |
| 17 (CH3) | 24.4 |
| 18 (CH3) | 29.7 |
| 19 (C) | 177.4 |
| 20 (CH3) | 17.1 |
| 1' (CH) | 93.9 |
| 2' (CH) | 82.7 |
| 3' (CH) | 78.6 |
| 4' (CH) | 70.9 |
| 5' (CH) | 79.9 |
| 6' (CH2) | 62.5 |
| 1'' (CH) | 106.7 |
| 2'' (CH) | 73.5 |
| 3'' (CH) | 74.3 |
| 4'' (CH) | 69.8 |
| 5'' (CH2) | 67.6 |
