Spektraris NMR
Cordianol I
Common Name: Cordianol I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52O6/c1-17(15-21(33)25(34)28(4,5)35)18-9-12-29(6)19(18)16-20(32)24-30(29,7)13-10-22-27(2,3)23-11-14-31(22,24)26(36-8)37-23/h15,18-26,32-35H,9-14,16H2,1-8H3/b17-15+/t18-,19-,20-,21+,22+,23+,24+,25?,26?,29-,30-,31-/m1/s1
InChIKey: InChIKey=QDCKMBPGZJSBGP-JBTITICISA-N
Formula: C31H52O6
Molecular Weight: 520.742162
Exact Mass: 520.376389
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) | 30.5 |
| 2 (CH2) | 23.2 |
| 3 (CH) | 76.1 |
| 4 (C) | 36.8 |
| 5 (CH) | 54.1 |
| 6 (CH2) | 20.6 |
| 7 (CH2) | 35.2 |
| 8 (C) | 40.3 |
| 9 (CH) | 49.8 |
| 10 (C) | 40.5 |
| 11 (CH) | 71.8 |
| 12 (CH2) | 34.1 |
| 13 (CH) | 43.7 |
| 14 (C) | 49 |
| 15 (CH2) | 31.1 |
| 16 (CH2) | 27.4 |
| 17 (CH) | 49.1 |
| 18 (CH3) | 15.7 |
| 19 (CH) | 101.4 |
| 20 (C) | 141.9 |
| 21 (CH3) | 14.2 |
| 22 (CH) | 124.5 |
| 23 (CH) | 68.2 |
| 24 (CH) | 77.9 |
| 25 (C) | 73.4 |
| 26 (CH3) | 26.1 |
| 27 (CH3) | 27 |
| 28 (CH3) | 29.2 |
| 29 (CH3) | 24.2 |
| 30 (CH3) | 16.8 |
| 19a (CH3) | 54.7 |
