Spektraris NMR
Cordianol E
Common Name: Cordianol E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-17(14-21(33)25-27(4,5)35-25)18-8-11-28(6)19(18)15-20(32)24-29(28,7)12-9-22-26(2,3)23(34)10-13-30(22,24)16-31/h14,16,18-22,24-25,32-33H,8-13,15H2,1-7H3/b17-14+/t18-,19-,20-,21+,22+,24+,25?,28-,29-,30-/m1/s1
InChIKey: InChIKey=VELIIAYHTAVWLG-AGSIUWQXSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kuroyanagi, M., Kawahara, N., Sekita, S., Satake, M., Hayashi, T., Takase, Y., Masuda, K. J Nat Prod (2003) 66, 1307-12
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 35.2 |
| 2 (CH2) | 36.5 |
| 3 (C) | 214.3 |
| 4 (C) | 48.9 |
| 5 (CH) | 55.5 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 35 |
| 8 (C) | 40.7 |
| 9 (CH) | 57.9 |
| 10 (C) | 54.5 |
| 11 (CH) | 70.6 |
| 12 (CH2) | 35.9 |
| 13 (CH) | 42.8 |
| 14 (C) | 48.8 |
| 15 (CH2) | 31.3 |
| 16 (CH2) | 27.6 |
| 17 (CH) | 49 |
| 18 (CH3) | 15.8 |
| 19 (CH) | 206.7 |
| 20 (C) | 142.1 |
| 21 (CH3) | 14.5 |
| 22 (CH) | 122.5 |
| 23 (CH) | 67.6 |
| 24 (CH) | 67.3 |
| 25 (C) | 59.8 |
| 26 (CH3) | 24.8 |
| 27 (CH3) | 19.5 |
| 28 (CH3) | 24.3 |
| 29 (CH3) | 21.6 |
| 30 (CH3) | 18.4 |
