Spektraris NMR
Cycloart-23Z-ene-3b,25-diol-3b-trans-ferulate
Common Name: Cycloart-23Z-ene-3b,25-diol-3b-trans-ferulate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H58O5/c1-26(10-9-19-35(2,3)43)28-17-20-38(7)32-15-14-31-36(4,5)33(18-21-39(31)25-40(32,39)23-22-37(28,38)6)45-34(42)16-12-27-11-13-29(41)30(24-27)44-8/h9,11-13,16,19,24,26,28,31-33,41,43H,10,14-15,17-18,20-23,25H2,1-8H3/b16-12+,19-9+/t26-,28-,31+,32+,33+,37-,38+,39-,40+/m1/s1
InChIKey: InChIKey=IQZFGPJVZJWNJS-FWURXDTASA-N
Formula: C40H58O5
Molecular Weight: 618.887024
Exact Mass: 618.428425
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Luo, H.F., Li, Q., Yu, S., Badger, T.M., Fang, N. J Nat Prod (2005) 68, 94-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 31.7 |
| 2 (CH2) | 27 |
| 3 (CH) | 80.5 |
| 4 (C) | 39.7 |
| 5 (CH) | 47.2 |
| 6 (CH2) | 21 |
| 7 (CH2) | 28.1 |
| 8 (CH) | 47.9 |
| 9 (C) | 20.1 |
| 10 (C) | 26 |
| 11 (CH2) | 25.9 |
| 12 (CH2) | 35.6 |
| 13 (C) | 45.3 |
| 14 (C) | 48.8 |
| 15 (CH2) | 32.8 |
| 16 (CH2) | 26.5 |
| 17 (CH) | 52 |
| 18 (CH3) | 18.1 |
| 19 (CH2) | 30 |
| 20 (CH) | 36.4 |
| 21 (CH3) | 18.3 |
| 22 (CH2) | 39.1 |
| 23 (CH) | 125.6 |
| 24 (CH) | 139.4 |
| 25 (C) | 70.8 |
| 26 (CH3) | 29.8 |
| 27 (CH3) | 29.9 |
| 28 (CH3) | 19.3 |
| 29 (CH3) | 15.4 |
| 30 (CH3) | 25.5 |
| 3a (C) | 167.1 |
| 3b (CH) | 116.3 |
| 3c (CH) | 144.4 |
| 3d (C) | 127.1 |
| 3e (CH) | 109.3 |
| 3f (C) | 146.8 |
| 3g (C) | 147.9 |
| 3h (CH) | 114.7 |
| 3i (CH) | 123.1 |
| 3fa (CH3) | 56 |
