Spektraris NMR
4871-87-8
Common Name: 4871-87-8
Synonyms: 4871-87-8
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-25(2)21-9-12-29(6)22(27(21,4)11-10-23(25)32)8-7-19-20-17-26(3,18-31)13-15-30(20,24(33)34)16-14-28(19,29)5/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20-,21-,22+,23-,26+,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=CZWBKSDPBWNHGO-DPJNYECVSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Shao C. J., Kasai R., Xu J. D., Tanaka. Chem Pharm Bull (1989) 37, 42
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) | 38.9 |
| 2 (CH2) | 28.1 |
| 3 (CH) | 78.1 |
| 4 (C) | 39.4 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 33.3 |
| 8 (C) | 39.8 |
| 9 (CH) | 48.2 |
| 10 (C) | 37.4 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 122.5 |
| 13 (C) | 144.9 |
| 14 (C) | 42.2 |
| 15 (CH2) | 28.2 |
| 16 (CH2) | 23.8 |
| 17 (C) | 47.2 |
| 18 (CH) | 41.4 |
| 19 (CH2) | 41.4 |
| 20 (C) | 36.6 |
| 21 (CH2) | 29.1 |
| 22 (CH2) | 32.7 |
| 23 (CH3) | 28.8 |
| 24 (CH3) | 16.5 |
| 25 (CH3) | 15.5 |
| 26 (CH3) | 17.4 |
| 27 (CH3) | 26.2 |
| 28 (C) | 180.2 |
| 29 (CH2) | 73.9 |
| 30 (CH3) | 19.8 |
