Spektraris NMR
BerkleasminE
Common Name: BerkleasminE
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O8/c1-9-10-11-12-13-23(18-33)16-19(2)26(34)22(5)27(35)38-25-15-14-20(3)30(6)17-24-21(4)28(36-7)39-32(24,37-8)29-31(25,30)40-29/h16,20,22-23,25-26,28-29,33-34H,9-15,17-18H2,1-8H3/b19-16+/t20-,22+,23?,25+,26+,28-,29-,30+,31+,32-/m0/s1
InChIKey: InChIKey=OMFJTIUQBUXYGZ-ZMPHMXKPSA-N
Formula: C32H52O8
Molecular Weight: 564.751707
Exact Mass: 564.366219
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Isaka, M., Srisanoh, U., Veeranondha, S., Choowong, W., Lumyong, S. Tetrahedron (2009) 65, 8808-15
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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 (CH) | 75.1 |
| 2 (CH2) | 28.4 |
| 3 (CH2) | 26.1 |
| 4 (CH) | 38.7 |
| 5 (C) | 41 |
| 6 (CH2) | 31 |
| 7 (C) | 133.1 |
| 8 (C) | 105.3 |
| 9 (CH) | 63.7 |
| 10 (C) | 64.2 |
| 11 (C) | 131.8 |
| 12 (CH) | 109.6 |
| 13 (CH3) | 10 |
| 14 (CH3) | 15.3 |
| 15 (CH3) | 14.9 |
| 1' (C) | 174.7 |
| 2' (CH) | 43.6 |
| 3' (CH) | 80 |
| 4' (C) | 137.1 |
| 5' (CH) | 131.5 |
| 6' (CH) | 40.9 |
| 7' (CH2) | 31.5 |
| 8' (CH2) | 27.3 |
| 9' (CH2) | 29.4 |
| 10' (CH2) | 31.8 |
| 11' (CH2) | 22.6 |
| 12' (CH3) | 14.1 |
| 13' (CH3) | 14.4 |
| 14' (CH3) | 11.5 |
| 15' (CH2) | 66.6 |
| 8a (CH3) | 50.4 |
| 12a (CH3) | 55.8 |
