Spektraris NMR
18-b-D-3',4'-Diacetoxyxylopyr-anosyl-ent-kaur-16-ene
Common Name: 18-b-D-3',4'-Diacetoxyxylopyr-anosyl-ent-kaur-16-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H42O8/c1-16-13-29-12-9-21-27(4,22(29)8-7-19(16)14-29)10-6-11-28(21,5)26(33)37-25-23(32)24(36-18(3)31)20(15-34-25)35-17(2)30/h19-25,32H,1,6-15H2,2-5H3/t19-,20-,21+,22+,23-,24+,25+,27-,28-,29-/m1/s1
InChIKey: InChIKey=TXGXZXTTXDMPMK-NDDUEHJASA-N
Formula: C29H42O8
Molecular Weight: 518.640092
Exact Mass: 518.287968
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Liu, X.T., Shi, Y., Yu, B., Williams, I.D., Sung, H.H., Zhang, Q., Liang, J.Y., Ip, N.Y., Min, Z.D. Planta Med (2007) 73, 84-90
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) | 38.1 |
| 4 (C) | 44.1 |
| 5 (CH) | 57.2 |
| 6 (CH2) | 21.9 |
| 7 (CH2) | 41.3 |
| 8 (C) | 44.2 |
| 9 (CH) | 55.1 |
| 10 (C) | 39.6 |
| 11 (CH2) | 18.4 |
| 12 (CH2) | 33 |
| 13 (CH) | 43.8 |
| 14 (CH2) | 39.7 |
| 15 (CH2) | 48.9 |
| 16 (C) | 155.8 |
| 17 (CH2) | 103.1 |
| 18 (C) | 176.3 |
| 19 (CH3) | 28.6 |
| 20 (CH3) | 15.7 |
| 1' (CH) | 94.1 |
| 2' (CH) | 70.5 |
| 3' (CH) | 73.6 |
| 4' (CH) | 68.4 |
| 5' (CH2) | 62.6 |
| 3'a (C) | 170.9 |
| 3'b (CH3) | 20.9 |
| 4'a (C) | 169.7 |
| 4'b (CH3) | 20.8 |
