Spektraris NMR
3-Epicyclomusalenol
Common Name: 3-Epicyclomusalenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h20-26,31H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,26-,27+,28-,29+,30-/m0/s1
InChIKey: InChIKey=QCGMIFBWAQSUQY-SMDMFZACSA-N
Formula: C30H50O1
Molecular Weight: 426.71852
Exact Mass: 426.386166
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Akihisa, T., Kimura, Y., Tamura, T. Phytochemistry (1998) 47, 1107-10
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 26.8 |
| 2 (CH2) | 33 |
| 3 (CH) | 72.3 |
| 4 (CH) | 41 |
| 5 (CH) | 37.9 |
| 6 (CH2) | 24.5 |
| 7 (CH2) | 24.8 |
| 8 (CH) | 46.9 |
| 9 (C) | 23.2 |
| 10 (C) | 30.2 |
| 11 (CH2) | 26.9 |
| 12 (CH2) | 32.9 |
| 13 (C) | 45.3 |
| 14 (C) | 49 |
| 15 (CH2) | 35.3 |
| 16 (CH2) | 28 |
| 17 (CH) | 52.2 |
| 18 (CH3) | 17.7 |
| 19 (CH2) | 26.2 |
| 20 (CH) | 36.1 |
| 21 (CH3) | 18.4 |
| 22 (CH2) | 33.9 |
| 23 (CH2) | 31.5 |
| 24 (CH) | 41.6 |
| 25 (C) | 150.3 |
| 26 (CH3) | 18.6 |
| 27 (CH2) | 109.7 |
| 28 (CH3) | 15.5 |
| 30 (CH3) | 19.1 |
| 24a (CH3) | 20.2 |
