Spektraris NMR
(24S)-Cycloart-25-ene-3b,24-diol-3b-trans-ferulate
Common Name: (24S)-Cycloart-25-ene-3b,24-diol-3b-trans-ferulate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H58O5/c1-25(2)29(41)12-9-26(3)28-17-19-38(7)33-15-14-32-36(4,5)34(18-20-39(32)24-40(33,39)22-21-37(28,38)6)45-35(43)16-11-27-10-13-30(42)31(23-27)44-8/h10-11,13,16,23,26,28-29,32-34,41-42H,1,9,12,14-15,17-22,24H2,2-8H3/b16-11+/t26-,28+,29+,32+,33+,34?,37-,38+,39-,40+/m1/s1
InChIKey: InChIKey=DIFORLMUHJRMIX-MVEUAYAHSA-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) | 20.2 |
| 10 (C) | 26 |
| 11 (CH2) | 25.9 |
| 12 (CH2) | 35.5 |
| 13 (C) | 45.3 |
| 14 (C) | 48.8 |
| 15 (CH2) | 32.9 |
| 16 (CH2) | 26.5 |
| 17 (CH) | 52.2 |
| 18 (CH3) | 18 |
| 19 (CH2) | 29.8 |
| 20 (CH) | 36 |
| 21 (CH3) | 18.4 |
| 22 (CH2) | 31.9 |
| 23 (CH2) | 31.5 |
| 24 (CH) | 76.7 |
| 25 (C) | 147.5 |
| 26 (CH3) | 17.2 |
| 27 (CH2) | 111.5 |
| 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) | 147.8 |
| 3h (CH) | 114.7 |
| 3i (CH) | 123.1 |
| 3fa (CH3) | 56 |
