Spektraris NMR
Dyvariabilins C
Common Name: Dyvariabilins C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-17(15-19(31)24-26(4,5)34-24)18-9-14-29(8)28(18,7)13-10-20-27(6)12-11-22(32)25(2,3)21(27)16-23-30(20,29)33-23/h17-21,23-24,31H,9-16H2,1-8H3/t17-,18-,19+,20+,21-,23+,24-,27+,28-,29-,30-/m0/s1
InChIKey: InChIKey=CTMMURJXADRKDF-AVCJFGMLSA-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) | 38.8 |
| 2 (CH2) | 34.9 |
| 3 (C) | 214.7 |
| 4 (C) | 47.2 |
| 5 (CH) | 47.3 |
| 6 (CH2) | 24.1 |
| 7 (CH) | 55.2 |
| 8 (C) | 63.5 |
| 9 (CH) | 49.4 |
| 10 (C) | 35.2 |
| 11 (CH2) | 18.6 |
| 12 (CH2) | 33.6 |
| 13 (C) | 45.6 |
| 14 (C) | 49.9 |
| 15 (CH2) | 28.3 |
| 16 (CH2) | 28.2 |
| 17 (CH) | 54.1 |
| 18 (CH3) | 20.6 |
| 19 (CH3) | 14.5 |
| 20 (CH) | 34 |
| 21 (CH3) | 20.3 |
| 22 (CH2) | 41.7 |
| 23 (CH) | 69.9 |
| 24 (CH) | 69.1 |
| 25 (C) | 58.8 |
| 26 (CH3) | 20 |
| 27 (CH3) | 25 |
| 28 (CH3) | 25.2 |
| 29 (CH3) | 22.9 |
| 30 (CH3) | 22.9 |
