Spektraris NMR
Dyvariabilins E
Common Name: Dyvariabilins E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-17(15-21(31)25-27(4,5)34-25)18-11-13-30(8)20-9-10-23-26(2,3)24(33)22(32)16-28(23,6)19(20)12-14-29(18,30)7/h9,17-19,21-23,25,31-32H,10-16H2,1-8H3/t17-,18-,19-,21+,22+,23-,25-,28+,29-,30+/m0/s1
InChIKey: InChIKey=RWIDOJDSFVJSPH-DTBGFDGESA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Liu, H., Heilmann, J., Rali, T., Sticher, O. J Nat Prod (2001) 64, 159-63
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Tirucallanes; 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) | 48.8 |
| 2 (CH) | 69.6 |
| 3 (C) | 216.2 |
| 4 (C) | 47.7 |
| 5 (CH) | 53.5 |
| 6 (CH2) | 24.8 |
| 7 (CH) | 118.4 |
| 8 (C) | 146.4 |
| 9 (CH) | 49.3 |
| 10 (C) | 36.1 |
| 11 (CH2) | 18.9 |
| 12 (CH2) | 34.2 |
| 13 (C) | 44.2 |
| 14 (C) | 51.8 |
| 15 (CH2) | 34.6 |
| 16 (CH2) | 29.2 |
| 17 (CH) | 54.1 |
| 18 (CH3) | 22 |
| 19 (CH3) | 13.9 |
| 20 (CH) | 34.3 |
| 21 (CH3) | 20.5 |
| 22 (CH2) | 41.9 |
| 23 (CH) | 69.9 |
| 24 (CH) | 69.1 |
| 25 (C) | 58.8 |
| 26 (CH3) | 20 |
| 27 (CH3) | 25 |
| 28 (CH3) | 24.7 |
| 29 (CH3) | 21.6 |
| 30 (CH3) | 27.6 |
