Spektraris NMR
CHEMBL515080
Common Name: CHEMBL515080
Synonyms: CHEMBL515080
CAS Registry Number:
InChI: InChI=1S/C30H46O2/c1-20(19-31)9-8-10-21(2)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,11,14,19,21-22,25-26,32H,8,10,12-13,15-18H2,1-7H3/b20-9-/t21-,22-,25+,26+,28-,29-,30+/m1/s1
InChIKey: InChIKey=RMOSHOXMAZYZOK-GJCSLOPBSA-N
Formula: C30H46O2
Molecular Weight: 438.686161
Exact Mass: 438.349781
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gonzalez, A.G., Leon, F., Rivera, A., Padron, J.I., Gonzalez-Plata, J., Zuluaga, J.C., Quintana, J., Estevez, F., Bermejo, J. J Nat Prod (2002) 65, 417-21
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) | 35.58 |
| 2 (CH2) | 27.84 |
| 3 (CH) | 78.83 |
| 4 (C) | 38.59 |
| 5 (CH) | 48.98 |
| 6 (CH2) | 22.89 |
| 7 (CH) | 120.3 |
| 8 (C) | 142.39 |
| 9 (C) | 145.86 |
| 10 (C) | 37.25 |
| 11 (CH) | 116.01 |
| 12 (CH2) | 37.69 |
| 13 (C) | 43.71 |
| 14 (C) | 50.19 |
| 15 (CH2) | 31.36 |
| 16 (CH2) | 27.69 |
| 17 (CH) | 50.72 |
| 18 (CH3) | 15.66 |
| 19 (CH3) | 22.62 |
| 20 (CH) | 36.04 |
| 21 (CH3) | 18.18 |
| 22 (CH2) | 34.61 |
| 23 (CH2) | 25.92 |
| 24 (CH) | 155.35 |
| 25 (C) | 139.1 |
| 26 (CH3) | 9.05 |
| 27 (CH) | 195.29 |
| 28 (CH3) | 25.44 |
| 29 (CH3) | 28.01 |
| 30 (CH3) | 15.53 |
