Spektraris NMR
Sandrasin A
Common Name: Sandrasin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H30O10/c1-14(25)31-13-23-18(33-15(2)26)10-20(3,28)22(24(23,29)7-4-6-21(23)12-32-21)9-17(34-19(22)27)16-5-8-30-11-16/h5,8,11,17-18,28-29H,4,6-7,9-10,12-13H2,1-3H3/t17-,18+,20+,21+,22-,23+,24+/m1/s1
InChIKey: InChIKey=PLNVNTKQZPPADC-WNYLPTBCSA-N
Formula: C24H30O10
Molecular Weight: 478.489933
Exact Mass: 478.183897
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Topcu, G., Eris, C., Che, C.T., Ulubelen, A. Phytochemistry (1996) 42, 775-8
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) | 31.8 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 29.4 |
| 4 (C) | 62.9 |
| 5 (C) | 49.8 |
| 6 (CH) | 67.3 |
| 7 (CH2) | 38.2 |
| 8 (C) | 75.8 |
| 9 (C) | 59.3 |
| 10 (C) | 81.9 |
| 11 (CH2) | 34.8 |
| 12 (CH) | 72.2 |
| 13 (C) | 124.9 |
| 14 (CH) | 108 |
| 15 (CH) | 144.2 |
| 16 (CH) | 139.6 |
| 17 (CH3) | 26 |
| 18 (CH2) | 51.6 |
| 19 (CH2) | 63.6 |
| 20 (C) | 174.6 |
| 6a (C) | 170.6 |
| 6b (CH3) | 21.2 |
| 19a (C) | 170.6 |
| 19b (CH3) | 21.2 |
