Spektraris NMR
3a-hydroxyfriedelan-2-one
Common Name: 3a-hydroxyfriedelan-2-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-19-24(32)20(31)17-22-27(19,5)10-9-21-28(22,6)14-16-30(8)23-18-25(2,3)11-12-26(23,4)13-15-29(21,30)7/h19,21-24,32H,9-18H2,1-8H3/t19-,21-,22+,23+,24-,26+,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=VCKICINOBWSZNZ-ZWDSCLLQSA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Patra A. , Chaudhuri S. K. Magn Reson Chem (1987) 25, 95
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) | 36 |
| 2 (C) | 211.6 |
| 3 (CH) | 76.9 |
| 4 (CH) | 54.4 |
| 5 (C) | 38 |
| 6 (CH2) | 40.6 |
| 7 (CH2) | 17.5 |
| 8 (CH) | 53.1 |
| 9 (C) | 37.6 |
| 10 (CH) | 60.3 |
| 11 (CH2) | 35 |
| 12 (CH2) | 30.2 |
| 13 (C) | 39.6 |
| 14 (C) | 38.2 |
| 15 (CH2) | 32.3 |
| 16 (CH2) | 35.9 |
| 17 (C) | 29.9 |
| 18 (CH) | 42.7 |
| 19 (CH2) | 35.2 |
| 20 (C) | 28.1 |
| 21 (CH2) | 32.7 |
| 22 (CH2) | 39.1 |
| 23 (CH3) | 10.7 |
| 24 (CH3) | 14 |
| 25 (CH3) | 17.3 |
| 26 (CH3) | 18.4 |
| 27 (CH3) | 20.1 |
| 28 (CH3) | 32 |
| 29 (CH3) | 31.7 |
| 30 (CH3) | 34.9 |
