Spektraris NMR
Cordianol C
Common Name: Cordianol C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52O6/c1-18(15-22(33)25(34)27(4,5)36-8)19-9-11-28(6)20(19)16-21(32)24-29(28,7)12-10-23-26(2,3)31(35)14-13-30(23,24)17-37-31/h15,19-25,32-35H,9-14,16-17H2,1-8H3/b18-15+/t19-,20-,21-,22+,23+,24+,25?,28-,29-,30-,31+/m1/s1
InChIKey: InChIKey=ANFJBMXRWPPYJK-XYWGIZNISA-N
Formula: C31H52O6
Molecular Weight: 520.742162
Exact Mass: 520.376389
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 |
| 9 (CH) | 51.2 |
| 10 (C) | 37.1 |
| 11 (CH) | 71.4 |
| 12 (CH2) | 37.5 |
| 13 (CH) | 44.5 |
| 14 (C) | 49.5 |
| 15 (CH2) | 32.1 |
| 16 (CH2) | 28.6 |
| 17 (CH) | 50.6 |
| 18 (CH3) | 15.7 |
| 19 (CH2) | 68.7 |
| 20 (C) | 140.1 |
| 21 (CH3) | 14.1 |
| 22 (CH) | 127.4 |
| 23 (CH) | 68.1 |
| 24 (CH) | 79.7 |
| 25 (C) | 79.1 |
| 26 (CH3) | 22.5 |
| 27 (CH3) | 21.3 |
| 28 (CH3) | 26.7 |
| 29 (CH3) | 19.2 |
| 30 (CH3) | 16.9 |
| 25a (CH3) | 49.6 |
