Spektraris NMR
Zerumin B
Common Name: Zerumin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-12-6-7-16-19(2,3)8-5-9-20(16,4)14(12)11-15(21)13-10-17(22)24-18(13)23/h10,14-17,21-22H,1,5-9,11H2,2-4H3/t14-,15?,16-,17?,20+/m0/s1
InChIKey: InChIKey=RWRUMHLQHKUMDS-GISXUQSNSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Xu, H.X., Dong, H., Sim, K.Y. Phytochemistry (1996) 42, 149-51
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) | 39.5 |
| 2 (CH2) | 19.9 |
| 3 (CH2) | 42.7 |
| 4 (C) | 34 |
| 5 (CH) | 52.5 |
| 6 (CH2) | 25 |
| 7 (CH2) | 38.9 |
| 8 (C) | 148 |
| 9 (CH) | 56.1 |
| 10 (C) | 39.5 |
| 11 (CH2) | 31.7 |
| 12 (CH) | 65.2 |
| 13 (C) | 142.8 |
| 14 (CH) | 145 |
| 15 (CH) | 98.1 |
| 16 (C) | 171 |
| 17 (CH2) | 107.9 |
| 18 (CH3) | 34 |
| 19 (CH3) | 22 |
| 20 (CH3) | 15 |
