Spektraris NMR
3a,4a-epoxyfriedelane
Common Name: 3a,4a-epoxyfriedelane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O/c1-24(2)13-14-25(3)15-17-27(5)21-11-12-29(7)20(9-10-23-30(29,8)31-23)26(21,4)16-18-28(27,6)22(25)19-24/h20-23H,9-19H2,1-8H3/t20-,21-,22+,23+,25+,26-,27+,28-,29-,30+/m0/s1
InChIKey: InChIKey=USNZDQHBJGRYRN-XXMGFNPASA-N
Formula: C30H50O1
Molecular Weight: 426.71852
Exact Mass: 426.386166
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Patra A., Chaudhuri S.K., Acharya A.K. Magn Reson Chem (1990) 28, 85
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) | 15.3 |
| 2 (CH2) | 23.2 |
| 3 (CH) | 60.8 |
| 4 (C) | 65.8 |
| 5 (C) | 37.3 |
| 6 (CH2) | 36.6 |
| 7 (CH2) | 17.9 |
| 8 (CH) | 52.3 |
| 9 (C) | 36.5 |
| 10 (CH) | 48 |
| 11 (CH2) | 35 |
| 12 (CH2) | 30.4 |
| 13 (C) | 39.5 |
| 14 (C) | 38.1 |
| 15 (CH2) | 32.2 |
| 16 (CH2) | 35.9 |
| 17 (C) | 29.8 |
| 18 (CH) | 42.6 |
| 19 (CH2) | 35.2 |
| 20 (C) | 28 |
| 21 (CH2) | 32.6 |
| 22 (CH2) | 39.1 |
| 23 (CH3) | 17.6 |
| 24 (CH3) | 18.6 |
| 25 (CH3) | 17.9 |
| 26 (CH3) | 20.1 |
| 27 (CH3) | 18.4 |
| 28 (CH3) | 32 |
| 29 (CH3) | 31.7 |
| 30 (CH3) | 34.9 |
