Spektraris NMR
W2532
Common Name: W2532
Synonyms: W2532
CAS Registry Number:
InChI: InChI=1S/C30H48O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9-10,21-22,24,31H,11-19H2,1-8H3/t21-,22-,24-,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=FNKOKHZCQSJJOQ-LAPMKBIWSA-N
Formula: C30H48O1
Molecular Weight: 424.702638
Exact Mass: 424.370516
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kobayashi Y., Takeda T., Ogihara Y. Chem Pharm Bull (1981) 29, 2222
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) | 38.8 |
| 2 (CH2) | 27.9 |
| 3 (CH) | 78.6 |
| 4 (C) | 38.9 |
| 5 (CH) | 51.2 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 32.2 |
| 8 (C) | 37 |
| 9 (C) | 154.3 |
| 10 (C) | 40.7 |
| 11 (CH) | 115.8 |
| 12 (CH) | 120.8 |
| 13 (C) | 147.1 |
| 14 (C) | 42.8 |
| 15 (CH2) | 25.7 |
| 16 (CH2) | 27.3 |
| 17 (C) | 32.2 |
| 18 (CH) | 45.6 |
| 19 (CH2) | 46.9 |
| 20 (C) | 31.1 |
| 21 (CH2) | 34.7 |
| 22 (CH2) | 37.2 |
| 23 (CH3) | 28.8 |
| 24 (CH3) | 15.1 |
| 25 (CH3) | 20.1 |
| 26 (CH3) | 21 |
| 27 (CH3) | 25.3 |
| 28 (CH3) | 28.3 |
| 29 (CH3) | 23.7 |
| 30 (CH3) | 33.2 |
