Spektraris NMR
BerkleasminA
Common Name: BerkleasminA
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O7/c1-7-8-9-10-11-22(16-31)14-18(2)25(32)21(5)26(33)36-24-13-12-20(4)28(6)15-23-19(3)17-35-30(23,34)27-29(24,28)37-27/h14,20-25,27,31-32,34H,3,7-13,15-17H2,1-2,4-6H3/b18-14+/t20-,21+,22?,23-,24+,25+,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=KCXXIPPRZXVLRU-MWNLZHEJSA-N
Formula: C30H48O7
Molecular Weight: 520.699068
Exact Mass: 520.340004
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) | 74.6 |
| 2 (CH2) | 28.5 |
| 3 (CH2) | 25.7 |
| 4 (CH) | 38.6 |
| 5 (C) | 36.1 |
| 6 (CH2) | 36.9 |
| 7 (CH) | 44.6 |
| 8 (C) | 102.4 |
| 9 (CH) | 62.4 |
| 10 (C) | 63 |
| 11 (C) | 151.2 |
| 12 (CH2) | 69.9 |
| 13 (CH2) | 104.3 |
| 14 (CH3) | 15.5 |
| 15 (CH3) | 15.2 |
| 1' (C) | 175.3 |
| 2' (CH) | 42.6 |
| 3' (CH) | 78.8 |
| 4' (C) | 137.1 |
| 5' (CH) | 130.2 |
| 6' (CH) | 40.8 |
| 7' (CH2) | 31.4 |
| 8' (CH2) | 27.3 |
| 9' (CH2) | 29.4 |
| 10' (CH2) | 31.8 |
| 11' (CH2) | 22.6 |
| 12' (CH3) | 14.1 |
| 13' (CH3) | 15.1 |
| 14' (CH3) | 12.5 |
| 15' (CH2) | 66.6 |
