Spektraris NMR
6-Deacetylsandrasin A
Common Name: 6-Deacetylsandrasin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O9/c1-13(23)29-12-21-16(24)9-18(2,26)20(22(21,27)6-3-5-19(21)11-30-19)8-15(31-17(20)25)14-4-7-28-10-14/h4,7,10,15-16,24,26-27H,3,5-6,8-9,11-12H2,1-2H3/t15-,16+,18+,19+,20-,21+,22+/m1/s1
InChIKey: InChIKey=ADEQWULKEXANSQ-DQEWAUSSSA-N
Formula: C22H28O9
Molecular Weight: 436.453175
Exact Mass: 436.173332
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) | 30.6 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 29.3 |
| 4 (C) | 63.9 |
| 5 (C) | 51.6 |
| 6 (CH) | 64.9 |
| 7 (CH2) | 39.3 |
| 8 (C) | 76 |
| 9 (C) | 59.6 |
| 10 (C) | 81.5 |
| 11 (CH2) | 34.9 |
| 12 (CH) | 72.1 |
| 13 (C) | 125 |
| 14 (CH) | 108 |
| 15 (CH) | 144.1 |
| 16 (CH) | 139.6 |
| 17 (CH3) | 26.1 |
| 18 (CH2) | 51.6 |
| 19 (CH2) | 63.8 |
| 20 (C) | 174.8 |
| 19a (C) | 170.8 |
| 19b (CH3) | 21.1 |
