Spektraris NMR
Scutelaterin A
Common Name: Scutelaterin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O9/c1-14-8-22(34-17(4)29)26(13-31-15(2)27)20(10-19(33-16(3)28)11-25(26)12-32-25)24(14,5)21-9-18-6-7-30-23(18)35-21/h6-7,14,18-23H,8-13H2,1-5H3/t14-,18-,19+,20-,21+,22+,23+,24+,25+,26+/m1/s1
InChIKey: InChIKey=QPZJPRFBKONNBN-ROXXLOQASA-N
Formula: C26H36O9
Molecular Weight: 492.559645
Exact Mass: 492.235933
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bruno, M., Cruciata, M., Bondi, M.L., Piozzi, F., de la Torre, M.C., Rodriguez, B., Servettaz, O. Phytochemistry (1998) 48, 687-91
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) | 26.9 |
| 2 (CH) | 70.6 |
| 3 (CH2) | 36.7 |
| 4 (C) | 61.4 |
| 5 (C) | 45.1 |
| 6 (CH) | 72.1 |
| 7 (CH2) | 33.3 |
| 8 (CH) | 36.2 |
| 9 (C) | 39.6 |
| 10 (CH) | 42.2 |
| 11 (CH) | 84.4 |
| 12 (CH2) | 30.9 |
| 13 (CH) | 46.1 |
| 14 (CH) | 101.8 |
| 15 (CH) | 146.9 |
| 16 (CH) | 107.6 |
| 17 (CH3) | 16.4 |
| 18 (CH2) | 49.7 |
| 19 (CH2) | 61.7 |
| 20 (CH3) | 13.9 |
| 2a (C) | 170.7 |
| 2b (CH3) | 21 |
| 6a (C) | 170.1 |
| 6b (CH3) | 21 |
| 19a (C) | 170 |
| 19b (CH3) | 21 |
