Spektraris NMR
ent-18,3b,7a,17-Tetracetoxy-15b,16b-epoxykaurane
Common Name: ent-18,3b,7a,17-Tetracetoxy-15b,16b-epoxykaurane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O9/c1-15(29)33-13-26(6)21-11-23(36-18(4)32)27-12-19(28(24(27)37-28)14-34-16(2)30)7-8-20(27)25(21,5)10-9-22(26)35-17(3)31/h19-24H,7-14H2,1-6H3/t19-,20+,21+,22-,23+,24-,25+,26-,27-,28+/m1/s1
InChIKey: InChIKey=OFFATORNHROHHC-DUZBDWDVSA-N
Formula: C28H40O9
Molecular Weight: 520.61288
Exact Mass: 520.267233
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ghoumari, H., Benajiba, M.H., Azmani, A., Garcia-Granados, A., Martinez, A., Parra, A., Rivas, F., Socorro, O. Phytochemistry (2005) 66, 1492-8
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) | 37.9 |
| 2 (CH2) | 23.3 |
| 3 (CH) | 73.7 |
| 4 (C) | 40.4 |
| 5 (CH) | 39.3 |
| 6 (CH2) | 22.9 |
| 7 (CH) | 74.7 |
| 8 (C) | 46.2 |
| 9 (CH) | 45.8 |
| 10 (C) | 38.6 |
| 11 (CH2) | 17.8 |
| 12 (CH2) | 26.6 |
| 13 (CH) | 35.6 |
| 14 (CH2) | 30.6 |
| 15 (CH) | 60.8 |
| 16 (C) | 62.2 |
| 17 (CH2) | 62 |
| 18 (CH2) | 64.9 |
| 19 (CH3) | 12.9 |
| 20 (CH3) | 17.9 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21.4 |
| 7a (C) | 170.6 |
| 7b (CH3) | 21.2 |
| 17a (C) | 170.5 |
| 17b (CH3) | 21 |
| 18a (C) | 169.6 |
| 18b (CH3) | 20.8 |
