Spektraris NMR
(7R)-ent-15-Oxokaur-16-en-7-ol-19-oic acid Beta-glucopyranosyl ester
Common Name: (7R)-ent-15-Oxokaur-16-en-7-ol-19-oic acid Beta-glucopyranosyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O9/c1-12-13-5-6-15-24(2)7-4-8-25(3,16(24)9-17(28)26(15,10-13)21(12)32)23(33)35-22-20(31)19(30)18(29)14(11-27)34-22/h13-20,22,27-31H,1,4-11H2,2-3H3/t13-,14-,15+,16+,17-,18-,19+,20-,22+,24+,25-,26-/m1/s1
InChIKey: InChIKey=BMXXQDGAMGQYJJ-KTNMWULYSA-N
Formula: C26H38O9
Molecular Weight: 494.575526
Exact Mass: 494.251583
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ybarra, M.I., Borkosky, S.A., Catalan, C.A.N., CerdaGarciaRojas, C.M., JosephNathan, P. Phytochemistry (1997) 44, 479-83
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) | 40.3 |
| 2 (CH2) | 19.3 |
| 3 (CH2) | 38.2 |
| 4 (C) | 44 |
| 5 (CH) | 54 |
| 6 (CH2) | 30.8 |
| 7 (CH) | 71.1 |
| 8 (C) | 58.9 |
| 9 (CH) | 51.8 |
| 10 (C) | 40 |
| 11 (CH2) | 18.6 |
| 12 (CH2) | 33.1 |
| 13 (CH) | 38.2 |
| 14 (CH2) | 28.8 |
| 15 (C) | 209.6 |
| 16 (C) | 50.2 |
| 17 (CH2) | 113.4 |
| 18 (CH3) | 28.4 |
| 19 (C) | 176.7 |
| 20 (CH3) | 15.9 |
| 1' (CH) | 95.8 |
| 2' (CH) | 73.9 |
| 3' (CH) | 79.2 |
| 4' (CH) | 71.1 |
| 5' (CH) | 79.4 |
| 6' (CH2) | 62.2 |
