Spektraris NMR
CHEMBL486615
Common Name: CHEMBL486615
Synonyms: CHEMBL486615
CAS Registry Number:
InChI: InChI=1S/C30H46O4/c1-18(16-20(31)17-19(2)26(33)34)21-10-14-30(7)23-8-9-24-27(3,4)25(32)12-13-28(24,5)22(23)11-15-29(21,30)6/h10-11,18-19,23-25,32H,8-9,12-17H2,1-7H3,(H,33,34)/t18-,19+,23-,24+,25-,28-,29-,30+/m1/s1
InChIKey: InChIKey=MSMIBGMKDUWCSX-CSFGUCJGSA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Vieira L.M., Kijjoa A., Silva A.M., Mondranondra I.O., Kengthong S., Gales L., Damas A.M., Herz W. Phytochemistry (2004) 65, 393-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 30.49 |
| 2 (CH2) | 25.6 |
| 3 (CH) | 76.27 |
| 4 (C) | 37.86 |
| 5 (CH) | 46.66 |
| 6 (CH2) | 21.1 |
| 7 (CH2) | 27.92 |
| 8 (CH) | 39.99 |
| 9 (C) | 149.44 |
| 10 (C) | 39.57 |
| 11 (CH) | 114.15 |
| 12 (CH2) | 31.13 |
| 13 (C) | 50.92 |
| 14 (C) | 46.71 |
| 15 (CH2) | 40.75 |
| 16 (CH) | 120.32 |
| 17 (C) | 155.65 |
| 18 (CH3) | 19.37 |
| 19 (CH3) | 21.93 |
| 20 (CH) | 28.04 |
| 21 (CH3) | 21.1 |
| 22 (CH2) | 49.45 |
| 23 (C) | 208.22 |
| 24 (CH2) | 46.36 |
| 25 (CH) | 34.33 |
| 26 (C) | 180.54 |
| 27 (CH3) | 16.86 |
| 28 (CH3) | 28.34 |
| 29 (CH3) | 22.53 |
| 30 (CH3) | 19.92 |
