Spektraris NMR
17-Hydroxy-ent-kauran-19-oate-16-O-b -D-glucopyranoside
Common Name: 17-Hydroxy-ent-kauran-19-oate-16-O-b -D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O14/c1-29-7-3-8-30(2,28(42)45-26-24(40)22(38)20(36)16(11-33)43-26)18(29)6-9-31-10-15(4-5-19(29)31)32(13-31,14-35)46-27-25(41)23(39)21(37)17(12-34)44-27/h15-27,33-41H,3-14H2,1-2H3/t15-,16-,17-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+,29-,30-,31+,32+/m1/s1
InChIKey: InChIKey=YWOHBGYYVUQKPV-NCNYVQIPSA-N
Formula: C32H52O14
Molecular Weight: 660.748137
Exact Mass: 660.335706
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Harinantenaina, L., Kasai, R., Yamasaki, K. Chem Pharm Bull (2002) 50, 1122-3
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) | 41 |
| 2 (CH2) | 19.4 |
| 3 (CH2) | 38.3 |
| 4 (C) | 44 |
| 5 (CH) | 57.2 |
| 6 (CH2) | 22.1 |
| 7 (CH2) | 42.2 |
| 8 (C) | 44.1 |
| 9 (CH) | 56.5 |
| 10 (C) | 40.8 |
| 11 (CH2) | 18.8 |
| 12 (CH2) | 26.5 |
| 13 (CH) | 40 |
| 14 (CH2) | 37.7 |
| 15 (CH2) | 48.4 |
| 16 (C) | 87 |
| 17 (CH2) | 66.6 |
| 18 (CH3) | 28.6 |
| 19 (C) | 176.9 |
| 20 (CH3) | 15.7 |
| 1' (CH) | 99.8 |
| 2' (CH) | 75.1 |
| 3' (CH) | 78.8 |
| 4' (CH) | 71.9 |
| 5' (CH) | 78.4 |
| 6' (CH2) | 63 |
| 1'' (CH) | 95.7 |
| 2'' (CH) | 74.1 |
| 3'' (CH) | 79.3 |
| 4'' (CH) | 71 |
| 5'' (CH) | 79.1 |
| 6'' (CH2) | 62.1 |
