Spektraris NMR
3a,16a,21a,22a,28-Pentahydroxyolean-12-ene
Common Name: 3a,16a,21a,22a,28-Pentahydroxyolean-12-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3/t18-,19-,20+,21+,22+,23+,24-,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=AYDKOFQQBHRXEW-UQEAZHMTSA-N
Formula: C30H50O5
Molecular Weight: 490.716139
Exact Mass: 490.365825
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) | 38.7 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 80.5 |
| 4 (C) | 38.5 |
| 5 (CH) | 49 |
| 6 (CH2) | 17.9 |
| 7 (CH2) | 32.2 |
| 8 (C) | 39.8 |
| 9 (CH) | 47.4 |
| 10 (C) | 42.7 |
| 11 (CH2) | 23.7 |
| 12 (CH) | 123.9 |
| 13 (C) | 144.9 |
| 14 (C) | 41.9 |
| 15 (CH2) | 36.9 |
| 16 (CH) | 78.5 |
| 17 (C) | 36.9 |
| 18 (CH) | 34.3 |
| 19 (CH2) | 37.7 |
| 20 (C) | 40.5 |
| 21 (CH) | 71.9 |
| 22 (CH) | 75.8 |
| 23 (CH3) | 28.7 |
| 24 (CH3) | 17.2 |
| 25 (CH3) | 16 |
| 26 (CH3) | 17.7 |
| 27 (CH3) | 26.5 |
| 28 (CH2) | 68 |
| 29 (CH3) | 29.9 |
| 30 (CH3) | 28.5 |
