Spektraris NMR
Cordianol B
Common Name: Cordianol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-17(2)24(33)21(31)14-18(3)19-8-10-27(6)20(19)15-22(32)25-28(27,7)11-9-23-26(4,5)30(34)13-12-29(23,25)16-35-30/h14,19-25,31-34H,1,8-13,15-16H2,2-7H3/b18-14+/t19-,20-,21+,22-,23+,24?,25+,27-,28-,29-,30+/m1/s1
InChIKey: InChIKey=YVVPJOHKSHNHKP-FLKORALXSA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
NMR Solvent: CD3OD
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) | 38.8 |
| 2 (CH2) | 30.5 |
| 3 (C) | 99.5 |
| 4 (C) | 41.9 |
| 5 (CH) | 52.1 |
| 6 (CH2) | 20.4 |
| 7 (CH2) | 35.2 |
| 8 (C) | 40.8 |
| 9 (CH) | 51.2 |
| 10 (C) | 37.1 |
| 11 (CH) | 71.4 |
| 12 (CH2) | 37.6 |
| 13 (CH) | 45 |
| 14 (C) | 49.6 |
| 15 (CH2) | 32.1 |
| 16 (CH2) | 28.9 |
| 17 (CH) | 50.5 |
| 18 (CH3) | 15.6 |
| 19 (CH2) | 68.7 |
| 20 (C) | 142.6 |
| 21 (CH3) | 14.9 |
| 22 (CH) | 125.1 |
| 23 (CH) | 71.1 |
| 24 (CH) | 80.7 |
| 25 (C) | 146.3 |
| 26 (CH2) | 113.7 |
| 27 (CH3) | 18.5 |
| 28 (CH3) | 26.7 |
| 29 (CH3) | 19.2 |
| 30 (CH3) | 16.9 |
