Spektraris NMR
2a,3b-diacetoxy-4(18)-neo-cleroden-15-oate
Common Name: 2a,3b-diacetoxy-4(18)-neo-cleroden-15-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H40O6/c1-15(13-22(28)29-8)9-11-24(6)16(2)10-12-25(7)17(3)23(31-19(5)27)20(14-21(24)25)30-18(4)26/h15-16,20-21,23H,3,9-14H2,1-2,4-8H3/t15?,16-,20-,21-,23-,24+,25+/m1/s1
InChIKey: InChIKey=IGWDDICEWCKFCV-IEIRICBCSA-N
Formula: C25H40O6
Molecular Weight: 436.582457
Exact Mass: 436.282489
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Urones, J.G., Marcos, I.S., Basabe, P., Jimenez, A., Gomez, A., Lithgow, A.M. Phytochemistry (1995) 38, 443-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 26 |
| 2 (CH) | 73.4 |
| 3 (CH) | 75.1 |
| 4 (C) | 153.2 |
| 5 (C) | 39.9 |
| 6 (CH2) | 36.4 |
| 7 (CH2) | 27 |
| 8 (CH) | 36.3 |
| 9 (C) | 38.9 |
| 10 (CH) | 44.5 |
| 11 (CH2) | 35 |
| 12 (CH2) | 29.1 |
| 13 (CH) | 30.8 |
| 14 (CH2) | 41.3 |
| 15 (C) | 173.6 |
| 16 (CH3) | 20 |
| 17 (CH3) | 15.7 |
| 18 (CH2) | 103.2 |
| 19 (CH3) | 21.3 |
| 20 (CH3) | 18 |
| 2a (C) | 170.1 |
| 2b (CH3) | 21.4 |
| 3a (C) | 170.1 |
| 3b (CH3) | 21.2 |
| 15a (CH3) | 50.4 |
