Spektraris NMR
Benzyl 2a,3a-dihydroxyolean-12-en-28-oate
Common Name: Benzyl 2a,3a-dihydroxyolean-12-en-28-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H54O4/c1-32(2)17-19-37(31(40)41-23-24-11-9-8-10-12-24)20-18-35(6)25(26(37)21-32)13-14-29-34(5)22-27(38)30(39)33(3,4)28(34)15-16-36(29,35)7/h8-13,26-30,38-39H,14-23H2,1-7H3/t26?,27-,28+,29-,30+,34+,35-,36-,37+/m1/s1
InChIKey: InChIKey=VCQDNEMHUASJMM-HQGANAIGSA-N
Formula: C37H54O4
Molecular Weight: 562.823649
Exact Mass: 562.40221
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Weis, R., Seebacher, W. Magn Reson Chem (2002) 40, 455-7
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) | 46.33 |
| 2 (CH) | 68.89 |
| 3 (CH) | 83.86 |
| 4 (C) | 39.13 |
| 5 (CH) | 55.23 |
| 6 (CH2) | 18.29 |
| 7 (CH2) | 32.55 |
| 8 (C) | 39.3 |
| 9 (CH) | 47.53 |
| 10 (C) | 38.22 |
| 11 (CH2) | 23.42 |
| 12 (CH) | 122.26 |
| 13 (C) | 143.68 |
| 14 (C) | 41.67 |
| 15 (CH2) | 27.53 |
| 16 (CH2) | 22.98 |
| 17 (C) | 46.68 |
| 18 (CH) | 41.29 |
| 19 (CH2) | 45.79 |
| 20 (C) | 30.67 |
| 21 (CH2) | 33.82 |
| 22 (CH2) | 32.32 |
| 23 (CH3) | 28.57 |
| 24 (CH3) | 16.73 |
| 25 (CH3) | 16.56 |
| 26 (CH3) | 16.88 |
| 27 (CH3) | 25.87 |
| 28 (C) | 177.42 |
| 29 (CH3) | 33.07 |
| 30 (CH3) | 23.61 |
| 28a (CH2) | 65.9 |
| 28b (C) | 136.36 |
| 28c (CH) | 127.88 |
| 28d (CH) | 127.93 |
| 28e (CH) | 128.37 |
| 28f (CH) | 127.93 |
| 28g (CH) | 127.88 |
