Spektraris NMR
Cordianol F
Common Name: Cordianol F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O6/c1-18(15-22(34)26-28(5,6)38-26)20-9-11-29(7)21(20)16-23(37-19(2)33)25-30(29,8)12-10-24-27(3,4)32(35)14-13-31(24,25)17-36-32/h15,20-26,34-35H,9-14,16-17H2,1-8H3/b18-15+/t20-,21-,22+,23-,24+,25+,26?,29-,30-,31-,32+/m1/s1
InChIKey: InChIKey=XINNAOZRAIWLII-IYQDLERJSA-N
Formula: C32H50O6
Molecular Weight: 530.737016
Exact Mass: 530.360739
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) | 37.3 |
| 2 (CH2) | 29.6 |
| 3 (C) | 98.1 |
| 4 (C) | 42.7 |
| 5 (CH) | 50.6 |
| 6 (CH2) | 19.2 |
| 7 (CH2) | 33.9 |
| 8 (C) | 40 |
| 9 (CH) | 47.5 |
| 10 (C) | 35.8 |
| 11 (CH) | 73 |
| 12 (CH2) | 32.2 |
| 13 (CH) | 42.7 |
| 14 (C) | 48.3 |
| 15 (CH2) | 31 |
| 16 (CH2) | 27.6 |
| 17 (CH) | 50.6 |
| 18 (CH3) | 15.2 |
| 19 (CH2) | 67.7 |
| 20 (C) | 141.9 |
| 21 (CH3) | 14.1 |
| 22 (CH) | 123.1 |
| 23 (CH) | 67.7 |
| 24 (CH) | 67.3 |
| 25 (C) | 59.6 |
| 26 (CH3) | 24.8 |
| 27 (CH3) | 19.5 |
| 28 (CH3) | 26.2 |
| 29 (CH3) | 18.6 |
| 30 (CH3) | 16.5 |
| 11a (C) | 169.7 |
| 11b (CH3) | 21.8 |
