Spektraris NMR
3b,20e-Dihydroxy-30 (or 29)-norolean-12-en-28-oic acid methyl esther
Common Name: 3b,20e-Dihydroxy-30 (or 29)-norolean-12-en-28-oic acid methyl esther
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-25(2)21-10-13-29(6)22(27(21,4)12-11-23(25)31)9-8-19-20-18-26(3,33)14-16-30(20,24(32)34-7)17-15-28(19,29)5/h8,20-23,31,33H,9-18H2,1-7H3/t20?,21-,22+,23-,26?,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=LZIYUNWNJYDPLF-LDLAVULBSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ahmad V.U., Bano N., Bano S. Phytochemistry (1984) 23, 2613
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) | 38.4 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 78.9 |
| 4 (C) | 38.7 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 34 |
| 8 (C) | 39.3 |
| 9 (CH) | 47.6 |
| 10 (C) | 37 |
| 11 (CH2) | 23.4 |
| 12 (CH) | 123 |
| 13 (C) | 142.6 |
| 14 (C) | 41.6 |
| 15 (CH2) | 27.6 |
| 16 (CH2) | 23.1 |
| 17 (C) | 46.5 |
| 18 (CH) | 43.6 |
| 19 (CH2) | 46.5 |
| 20 (C) | 70.9 |
| 21 (CH2) | 35 |
| 22 (CH2) | 32.6 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 15.3 |
| 25 (CH3) | 15.5 |
| 26 (CH3) | 16.8 |
| 27 (CH3) | 25.2 |
| 28 (C) | 177.7 |
| 29 (CH3) | 25.8 |
| 28a (CH3) | 51.7 |
