Spektraris NMR
Scutalpin M
Common Name: Scutalpin M
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O9/c1-14-9-22(34-17(4)29)26(13-31-15(2)27)20(7-6-8-25(26)12-32-25)24(14,5)21-10-18-19(33-16(3)28)11-30-23(18)35-21/h14,18-23H,6-13H2,1-5H3/t14-,18+,19-,20-,21+,22+,23+,24+,25+,26+/m1/s1
InChIKey: InChIKey=JKYDSTHATCHEOA-MQAPNOSOSA-N
Formula: C26H38O9
Molecular Weight: 494.575526
Exact Mass: 494.251583
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Delatorre, M.C., Rodriguez, B., Bruno, M., Piozzi, F., Savona, G., Vassallo, N., Servettaz, O. Phytochemistry (1995) 38, 181-7
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) | 22.2 |
| 2 (CH2) | 25 |
| 3 (CH2) | 32.7 |
| 4 (C) | 65 |
| 5 (C) | 45.6 |
| 6 (CH) | 71.9 |
| 7 (CH2) | 33.4 |
| 8 (CH) | 35.7 |
| 9 (C) | 40.7 |
| 10 (CH) | 48.1 |
| 11 (CH) | 85.4 |
| 12 (CH2) | 29.3 |
| 13 (CH) | 49.2 |
| 14 (CH) | 80 |
| 15 (CH2) | 73.3 |
| 16 (CH) | 107.4 |
| 17 (CH3) | 16.6 |
| 18 (CH2) | 48.5 |
| 19 (CH2) | 61.7 |
| 20 (CH3) | 13.9 |
| 6a (C) | 170.9 |
| 6b (CH3) | 21.2 |
| 14a (C) | 170.6 |
| 14b (CH3) | 21.2 |
| 19a (C) | 170.1 |
| 19b (CH3) | 21 |
