Spektraris NMR
3a,21a,22a,28-Tetrahydroxyolean-12-ene
Common Name: 3a,21a,22a,28-Tetrahydroxyolean-12-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O4/c1-25(2)16-19-18-8-9-21-27(5)12-11-22(32)26(3,4)20(27)10-13-29(21,7)28(18,6)14-15-30(19,17-31)24(34)23(25)33/h8,19-24,31-34H,9-17H2,1-7H3/t19-,20-,21+,22+,23+,24-,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=BIYKZVKORGTONM-PPOWYHKUSA-N
Formula: C30H50O4
Molecular Weight: 474.716734
Exact Mass: 474.37091
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Gupta D., Singh J. Phytochemistry (1989) 28, 1197
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) | 38.2 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 79.2 |
| 4 (C) | 28.7 |
| 5 (CH) | 55.6 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 32.5 |
| 8 (C) | 40 |
| 9 (CH) | 47.8 |
| 10 (C) | 37.2 |
| 11 (CH2) | 24.2 |
| 12 (CH) | 123.8 |
| 13 (C) | 144.7 |
| 14 (C) | 41.7 |
| 15 (CH2) | 25.7 |
| 16 (CH2) | 16.9 |
| 17 (C) | 36 |
| 18 (CH) | 35.8 |
| 19 (CH2) | 34.7 |
| 20 (C) | 39.1 |
| 21 (CH) | 70.5 |
| 22 (CH) | 75.5 |
| 23 (CH3) | 28.3 |
| 24 (CH3) | 16.6 |
| 25 (CH3) | 15.9 |
| 26 (CH3) | 17.3 |
| 27 (CH3) | 26.3 |
| 28 (CH2) | 67.5 |
| 29 (CH3) | 33.3 |
| 30 (CH3) | 28.9 |
