Spektraris NMR
Adiantuoleanone
Common Name: Adiantuoleanone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H48O2/c1-24(2)21-10-13-29(7)22(27(21,5)12-11-23(24)30)9-8-19-20-18-26(4,31)16-14-25(20,3)15-17-28(19,29)6/h19-22,31H,8-18H2,1-7H3/t19-,20+,21+,22-,25-,26+,27+,28-,29-/m1/s1
InChIKey: InChIKey=WLZOLMHOAKQWJH-MFPGKQGBSA-N
Formula: C29H48O2
Molecular Weight: 428.691307
Exact Mass: 428.365431
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Alam, M.S., Chopra, N., Ali, M., Niwa, M. Phytochemistry (2000) 54, 215-20
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) | 40.27 |
| 2 (CH2) | 33.73 |
| 3 (C) | 215.61 |
| 4 (C) | 37.3 |
| 5 (CH) | 56.09 |
| 6 (CH2) | 18.24 |
| 7 (CH2) | 42.06 |
| 8 (C) | 41.8 |
| 9 (CH) | 50.23 |
| 10 (C) | 37.03 |
| 11 (CH2) | 18.62 |
| 12 (CH2) | 18.65 |
| 13 (CH) | 58.8 |
| 14 (C) | 42 |
| 15 (CH2) | 20.9 |
| 16 (CH2) | 21.64 |
| 17 (C) | 33.22 |
| 18 (CH) | 49.68 |
| 19 (CH2) | 41.13 |
| 20 (C) | 77.35 |
| 21 (CH2) | 32.97 |
| 22 (CH2) | 32.17 |
| 23 (CH3) | 16.43 |
| 24 (CH3) | 14.74 |
| 25 (CH3) | 21.55 |
| 26 (CH3) | 15.89 |
| 27 (CH3) | 33.37 |
| 28 (CH3) | 16.47 |
| 29 (CH3) | 22.03 |
