Spektraris NMR
CHEMBL1939360
Common Name: CHEMBL1939360
Synonyms: CHEMBL1939360
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-18(2)10-9-11-19(3)20-12-15-29(7)25(20)21(31)16-23-28(6)14-13-24(33)27(4,5)26(28)22(32)17-30(23,29)8/h10-11,20-26,31-33H,9,12-17H2,1-8H3/b19-11+/t20-,21-,22+,23-,24+,25+,26+,28-,29-,30-/m1/s1
InChIKey: InChIKey=JKPOYAJYRYOGBN-DUVBXBALSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Wu, L.J., Wang, L.B., Gao, H.Y., Wu, B., Song, X.M., Tang, Z.S. Fitoterapia (2007) 78, 556-60
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 39.6 |
| 2 (CH2) | 28.2 |
| 3 (CH) | 78.4 |
| 4 (C) | 40.4 |
| 5 (CH) | 61.8 |
| 6 (CH) | 67.7 |
| 7 (CH2) | 47.7 |
| 8 (C) | 41.5 |
| 9 (CH) | 50.5 |
| 10 (C) | 40.4 |
| 11 (CH2) | 32.7 |
| 12 (CH) | 72.6 |
| 13 (CH) | 50.7 |
| 14 (C) | 50.9 |
| 15 (CH2) | 32.3 |
| 16 (CH2) | 28.9 |
| 17 (CH) | 50.4 |
| 18 (CH3) | 17.7 |
| 19 (CH3) | 17.1 |
| 20 (C) | 140.1 |
| 21 (CH3) | 13.2 |
| 22 (CH) | 123.2 |
| 23 (CH2) | 27.5 |
| 24 (CH) | 123.5 |
| 25 (C) | 131.3 |
| 26 (CH3) | 25.7 |
| 27 (CH3) | 17.5 |
| 28 (CH3) | 32 |
| 29 (CH3) | 16.5 |
| 30 (CH3) | 17.7 |
