Spektraris NMR
(+)-D:B-Friedoolean-5-ene-3beta,29-diol
Common Name: (+)-D:B-Friedoolean-5-ene-3beta,29-diol
Synonyms: (+)-D:B-Friedoolean-5-ene-3beta,29-diol
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-25(2)20-8-10-22-28(5,21(20)9-11-24(25)32)15-17-30(7)23-18-26(3,19-31)12-13-27(23,4)14-16-29(22,30)6/h8,21-24,31-32H,9-19H2,1-7H3/t21-,22+,23-,24+,26-,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=LMQGCNAOWXUOEU-RKJZCXAYSA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gonzalez A.G., Ferro E.A., Ravelo A.G. Phytochemistry (1987) 26, 2785
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Glutinanes; 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) | 18.4 |
| 2 (CH2) | 28 |
| 3 (CH) | 76.5 |
| 4 (C) | 41 |
| 5 (C) | 141.8 |
| 6 (CH) | 122.1 |
| 7 (CH2) | 23.8 |
| 8 (CH) | 48.1 |
| 9 (C) | 35 |
| 10 (CH) | 49.9 |
| 11 (CH2) | 32.8 |
| 12 (CH2) | 30.7 |
| 13 (C) | 37.9 |
| 14 (C) | 38.8 |
| 15 (CH2) | 34.8 |
| 16 (CH2) | 36 |
| 17 (C) | 30.8 |
| 18 (CH) | 42.2 |
| 19 (CH2) | 29.7 |
| 20 (C) | 31.3 |
| 21 (CH2) | 28.1 |
| 22 (CH2) | 39.5 |
| 23 (CH3) | 29.1 |
| 24 (CH3) | 25.6 |
| 25 (CH3) | 16.2 |
| 26 (CH3) | 18.2 |
| 27 (CH3) | 20.6 |
| 28 (CH3) | 32.2 |
| 29 (CH2) | 74.6 |
| 30 (CH3) | 26.2 |
