Spektraris NMR
CHEMBL497711
Common Name: CHEMBL497711
Synonyms: CHEMBL497711
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-18(17-31)8-7-9-19(26(34)35)25-22(32)16-30(6)21-10-11-23-27(2,3)24(33)13-14-28(23,4)20(21)12-15-29(25,30)5/h8,10,12,19,22-25,31-33H,7,9,11,13-17H2,1-6H3,(H,34,35)/b18-8+/t19-,22-,23+,24-,25+,28-,29-,30+/m1/s1
InChIKey: InChIKey=PJJIWWUPWPLBRE-XOSWQPBISA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - de Silva, E.D., van der Sar, S.A., Santha, R.G., Wijesundera, R.L., Cole, A.L., Blunt, J.W., Munro, M.H. J Nat Prod (2006) 69, 1245-8
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) | 29.7 |
| 2 (CH2) | 25.6 |
| 3 (CH) | 73.8 |
| 4 (C) | 37 |
| 5 (CH) | 42.8 |
| 6 (CH2) | 22.6 |
| 7 (CH) | 120.6 |
| 8 (C) | 141.9 |
| 9 (C) | 145.9 |
| 10 (C) | 37.1 |
| 11 (CH) | 115.1 |
| 12 (CH2) | 35.3 |
| 13 (C) | 43.9 |
| 14 (C) | 48.4 |
| 15 (CH2) | 43.3 |
| 16 (CH) | 75 |
| 17 (CH) | 56.2 |
| 18 (CH3) | 16.9 |
| 19 (CH3) | 22.7 |
| 20 (CH) | 46.9 |
| 21 (C) | 177.2 |
| 22 (CH2) | 31.7 |
| 23 (CH2) | 25.4 |
| 24 (CH) | 123.1 |
| 25 (C) | 135.7 |
| 26 (CH2) | 66.5 |
| 27 (CH3) | 13.6 |
| 28 (CH3) | 28.7 |
| 29 (CH3) | 22.8 |
| 30 (CH3) | 26.1 |
