Spektraris NMR
3b-Palmitoxy-7b-hydroxyolean-12-ene
Common Name: 3b-Palmitoxy-7b-hydroxyolean-12-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C46H80O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(48)49-39-26-27-44(7)36-25-24-34-35-33-41(2,3)28-29-43(35,6)30-31-45(34,8)46(36,9)38(47)32-37(44)42(39,4)5/h24,35-39,47H,10-23,25-33H2,1-9H3/t35-,36+,37-,38-,39-,43+,44+,45+,46-/m0/s1
InChIKey: InChIKey=ZWSFEXMWINMNBP-QBBXVQGQSA-N
Formula: C46H80O3
Molecular Weight: 681.127326
Exact Mass: 680.610746
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) | 38.27 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 80.4 |
| 4 (C) | 37.74 |
| 5 (CH) | 52.5 |
| 6 (CH2) | 29.68 |
| 7 (CH) | 73.37 |
| 8 (C) | 45.62 |
| 9 (CH) | 47.99 |
| 10 (C) | 37.17 |
| 11 (CH2) | 22.9 |
| 12 (CH) | 122.27 |
| 13 (C) | 144.93 |
| 14 (C) | 43.35 |
| 15 (CH2) | 30.14 |
| 16 (CH2) | 29.8 |
| 17 (C) | 32.53 |
| 18 (CH) | 47.82 |
| 19 (CH2) | 47.03 |
| 20 (C) | 31.32 |
| 21 (CH2) | 34.88 |
| 22 (CH2) | 37.17 |
| 23 (CH3) | 28.21 |
| 24 (CH3) | 15.58 |
| 25 (CH3) | 16.95 |
| 26 (CH3) | 10.06 |
| 27 (CH3) | 26.44 |
| 28 (CH3) | 28.51 |
| 29 (CH3) | 33.54 |
| 30 (CH3) | 23.87 |
| 3a (C) | 173.58 |
| 3b (CH2) | 35.04 |
| 3c (CH2) | 25.38 |
| 3d (CH2) | 29.47 |
| 3e (CH2) | 29.39 |
| 3f (CH2) | 29.3 |
| 3g (CH2) | 29.91 |
| 3h (CH2) | 29.91 |
| 3i (CH2) | 29.91 |
| 3j (CH2) | 29.91 |
| 3k (CH2) | 29.91 |
| 3l (CH2) | 29.91 |
| 3m (CH2) | 29.58 |
| 3n (CH2) | 32.15 |
| 3o (CH2) | 23.8 |
| 3p (CH3) | 14.34 |
