Spektraris NMR
16b,17-Dihydroxy-ent-kauran-19-oic acid 19-[a-L-arabinopyranosyl-(1-->2)-b-D-glucopyranosyl] ester
![16b,17-Dihydroxy-ent-kauran-19-oic acid 19-[a-L-arabinopyranosyl-(1-->2)-b-D-glucopyranosyl] ester](/nmr/static/nmr/svg/16830.svg)
Common Name: 16b,17-Dihydroxy-ent-kauran-19-oic acid 19-[a-L-arabinopyranosyl-(1-->2)-b-D-glucopyranosyl] ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H50O13/c1-28-7-3-8-29(2,18(28)6-9-30-10-15(4-5-19(28)30)31(40,13-30)14-33)27(39)44-26-24(22(37)21(36)17(11-32)42-26)43-25-23(38)20(35)16(34)12-41-25/h15-26,32-38,40H,3-14H2,1-2H3/t15-,16+,17-,18+,19+,20+,21-,22+,23-,24-,25+,26+,28-,29-,30+,31+/m1/s1
InChIKey: InChIKey=WIWGMWMZHXXIAH-SICIGRSVSA-N
Formula: C31H50O13
Molecular Weight: 630.722115
Exact Mass: 630.325142
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) | 41.2 |
| 2 (CH2) | 20.5 |
| 3 (CH2) | 38.2 |
| 4 (C) | 44.9 |
| 5 (CH) | 58.2 |
| 6 (CH2) | 22.9 |
| 7 (CH2) | 43.3 |
| 8 (C) | 45.4 |
| 9 (CH) | 56.7 |
| 10 (C) | 40.5 |
| 11 (CH2) | 19.5 |
| 12 (CH2) | 27.1 |
| 13 (CH) | 46.4 |
| 14 (CH2) | 38.1 |
| 15 (CH2) | 54.5 |
| 16 (C) | 82.2 |
| 17 (CH2) | 67 |
| 18 (CH3) | 29.7 |
| 19 (C) | 176.3 |
| 20 (CH3) | 17.2 |
| 1' (CH) | 93.8 |
| 2' (CH) | 83.3 |
| 3' (CH) | 78.9 |
| 4' (CH) | 71.3 |
| 5' (CH) | 79.6 |
| 6' (CH2) | 62.8 |
| 1'' (CH) | 107.6 |
| 2'' (CH) | 74.2 |
| 3'' (CH) | 75.1 |
| 4'' (CH) | 70.1 |
| 5'' (CH2) | 68.1 |
