Spektraris NMR
SCHEMBL3339308
Common Name: SCHEMBL3339308
Synonyms: SCHEMBL3339308
CAS Registry Number:
InChI: InChI=1S/C24H38O5/c1-9-23(7,27)14-11-18-15(2)19(28-16(3)25)20(29-17(4)26)21-22(5,6)12-10-13-24(18,21)8/h9,19-21,27H,1,10-14H2,2-8H3/t19-,20-,21+,23-,24-/m1/s1
InChIKey: InChIKey=JVKGUKYXQMTNOK-XSMZZKNVSA-N
Formula: C24H38O5
Molecular Weight: 406.556435
Exact Mass: 406.271924
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hoberg, E., Orjala, J., Meier, B., Sticher, O. Phytochemistry (1999) 52, 1555-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 25.9 |
| 2 (CH2) | 19.4 |
| 3 (CH2) | 39.4 |
| 4 (C) | 34.6 |
| 5 (CH) | 36.4 |
| 6 (CH) | 72.8 |
| 7 (CH) | 66.2 |
| 8 (C) | 132.3 |
| 9 (C) | 141.5 |
| 10 (C) | 42.9 |
| 11 (CH2) | 29.3 |
| 12 (CH2) | 38.5 |
| 13 (C) | 73 |
| 14 (CH) | 144.5 |
| 15 (CH2) | 112.1 |
| 16 (CH3) | 28.2 |
| 17 (CH3) | 27.8 |
| 18 (CH3) | 29.4 |
| 19 (CH3) | 28.1 |
| 20 (CH3) | 11.8 |
| 6a (C) | 170.7 |
| 6b (CH3) | 21.4 |
| 7a (C) | 170.7 |
| 7b (CH3) | 20.9 |
