Spektraris NMR
Cordianol H
Common Name: Cordianol H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-17(2)25(34)21(31)15-18(3)19-9-13-29(7)20(19)16-22(32)26-28(6)12-11-24(33)27(4,5)23(28)10-14-30(26,29)8/h15,19-23,25-26,31-32,34H,1,9-14,16H2,2-8H3/b18-15+/t19-,20-,21+,22-,23+,25?,26-,28+,29-,30-/m1/s1
InChIKey: InChIKey=SWQUQBOEMZQZKH-WURKRZQKSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
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) | 41.9 |
| 2 (CH2) | 34.1 |
| 3 (C) | 218.6 |
| 4 (C) | 47.6 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 19.5 |
| 7 (CH2) | 35.2 |
| 8 (C) | 40.7 |
| 9 (CH) | 54.8 |
| 10 (C) | 38.3 |
| 11 (CH) | 71.7 |
| 12 (CH2) | 37.1 |
| 13 (CH) | 43.1 |
| 14 (C) | 49 |
| 15 (CH2) | 31 |
| 16 (CH2) | 27.7 |
| 17 (CH) | 49.2 |
| 18 (CH3) | 15.6 |
| 19 (CH3) | 16.8 |
| 20 (C) | 144.2 |
| 21 (CH3) | 14.4 |
| 22 (CH) | 123.3 |
| 23 (CH) | 69.9 |
| 24 (CH) | 79 |
| 25 (C) | 142.8 |
| 26 (CH2) | 113.4 |
| 27 (CH3) | 18.6 |
| 28 (CH3) | 27.5 |
| 29 (CH3) | 20.6 |
| 30 (CH3) | 16.3 |
