Spektraris NMR
CHEMBL1914936
Common Name: CHEMBL1914936
Synonyms: CHEMBL1914936
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-25(2)12-14-30(18-31)15-13-28(6)19(20(30)16-25)8-9-23-27(5)17-21(32)24(33)26(3,4)22(27)10-11-29(23,28)7/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21-,22-,23+,24-,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=XBXOIGGIJQMJBM-HKFAFNEWSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nicollier G., Thompson A.C. J Nat Prod (1983) 46, 183
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 47.7 |
| 2 (CH) | 66.6 |
| 3 (CH) | 78.9 |
| 4 (C) | 38.8 |
| 5 (CH) | 48.2 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 33.8 |
| 8 (C) | 38.2 |
| 9 (CH) | 47.6 |
| 10 (C) | 37.1 |
| 11 (CH2) | 22.5 |
| 12 (CH) | 122 |
| 13 (C) | 144 |
| 14 (C) | 41.5 |
| 15 (CH2) | 27.8 |
| 16 (CH2) | 22.8 |
| 17 (C) | 46.3 |
| 18 (CH) | 43 |
| 19 (CH2) | 46.4 |
| 20 (C) | 31 |
| 21 (CH2) | 34 |
| 22 (CH2) | 33.2 |
| 23 (CH3) | 28.3 |
| 24 (CH3) | 21.9 |
| 25 (CH3) | 16.9 |
| 26 (CH3) | 17 |
| 27 (CH3) | 26.1 |
| 28 (CH2) | 72 |
| 29 (CH3) | 34 |
| 30 (CH3) | 22.5 |
