Spektraris NMR
3b,7b-Dihydroxyolean-12-ene
Common Name: 3b,7b-Dihydroxyolean-12-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)18-25)9-10-21-28(6)12-11-23(31)26(3,4)22(28)17-24(32)30(21,29)8/h9,20-24,31-32H,10-18H2,1-8H3/t20-,21+,22-,23-,24-,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=QPILCMONEJCEKN-QEZCSDGISA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rios, M.Y., Aguilar-Guadarrama, A.B. Magn Reson Chem (2004) 42, 1066-8
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) | 38.59 |
| 2 (CH2) | 27.45 |
| 3 (CH) | 78.95 |
| 4 (C) | 38.79 |
| 5 (CH) | 52.43 |
| 6 (CH2) | 29.5 |
| 7 (CH) | 73.48 |
| 8 (C) | 43.36 |
| 9 (CH) | 47.85 |
| 10 (C) | 37.29 |
| 11 (CH2) | 23.93 |
| 12 (CH) | 122.21 |
| 13 (C) | 144.77 |
| 14 (C) | 45.58 |
| 15 (CH2) | 30.18 |
| 16 (CH2) | 27.33 |
| 17 (C) | 32.57 |
| 18 (CH) | 47.98 |
| 19 (CH2) | 47.06 |
| 20 (C) | 31.38 |
| 21 (CH2) | 34.9 |
| 22 (CH2) | 37.16 |
| 23 (CH3) | 28.3 |
| 24 (CH3) | 15.87 |
| 25 (CH3) | 15.61 |
| 26 (CH3) | 10.16 |
| 27 (CH3) | 26.54 |
| 28 (CH3) | 28.57 |
| 29 (CH3) | 33.61 |
| 30 (CH3) | 23.93 |
