Spektraris NMR
Esquirolin B
Common Name: Esquirolin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H38O4/c1-16(25)27-15-21(28-17(2)26)23(5)13-10-19-18(14-23)8-9-20-22(3,4)11-7-12-24(19,20)6/h8,19-21H,7,9-15H2,1-6H3/t19-,20-,21?,23-,24+/m0/s1
InChIKey: InChIKey=RKJOYDSAYKPNTK-NCBNIBKJSA-N
Formula: C24H38O4
Molecular Weight: 390.55703
Exact Mass: 390.27701
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Urones, J.G., Marcos, I.S., Diez, D., Cubilla, L. Phytochemistry (1998) 48, 1035-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isopimaranes; 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) | 39.8 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 42.7 |
| 4 (C) | 32.8 |
| 5 (CH) | 50.3 |
| 6 (CH2) | 19.5 |
| 7 (CH) | 122.6 |
| 8 (C) | 134.2 |
| 9 (CH) | 52 |
| 10 (C) | 37 |
| 11 (CH2) | 23.5 |
| 12 (CH2) | 33.2 |
| 13 (C) | 35.4 |
| 14 (CH2) | 42.3 |
| 15 (CH) | 78.5 |
| 16 (CH2) | 63.2 |
| 17 (CH3) | 17.8 |
| 18 (CH3) | 33.6 |
| 19 (CH3) | 22.3 |
| 20 (CH3) | 14.9 |
| 15a (C) | 171 |
| 15b (CH3) | 20.9 |
| 16a (C) | 170.6 |
| 16b (CH3) | 20.8 |
