Spektraris NMR
5(R),16(S)-Diacetoxyspata-13.17-diene
Common Name: 5(R),16(S)-Diacetoxyspata-13.17-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O4/c1-13(2)10-18(27-16(5)25)11-15(4)19-12-21(28-17(6)26)24(7)20-9-8-14(3)22(20)23(19)24/h10,14,18-23H,4,8-9,11-12H2,1-3,5-7H3/t14-,18+,19+,20+,21-,22-,23+,24+/m1/s1
InChIKey: InChIKey=XJSUFPRPSVYSPS-UVBVHBOKSA-N
Formula: C24H36O4
Molecular Weight: 388.541148
Exact Mass: 388.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - De Rosa, S., Iodice, C., Khalaghdoust, M., Oryan, S., Rustaiyan, A. Phytochemistry (1999) 51, 1009-12
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Spatanes; 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 (CH) | 36.5 |
| 2 (CH2) | 34.9 |
| 3 (CH2) | 27.8 |
| 4 (C) | 46.1 |
| 5 (CH) | 82.2 |
| 6 (CH2) | 34.6 |
| 7 (CH) | 46 |
| 8 (CH) | 43.2 |
| 9 (CH) | 37.7 |
| 10 (CH) | 43.1 |
| 11 (CH3) | 14.3 |
| 12 (CH3) | 13.1 |
| 13 (C) | 143.6 |
| 14 (CH2) | 112 |
| 15 (CH2) | 41.5 |
| 16 (CH) | 70.7 |
| 17 (CH) | 123.5 |
| 18 (C) | 137.3 |
| 19 (CH3) | 18.4 |
| 20 (CH3) | 25.7 |
| 5a (C) | 170.6 |
| 5b (CH3) | 21.3 |
| 16a (C) | 170.4 |
| 16b (CH3) | 21.2 |
