Spektraris NMR
5alpha-Gammacerane-3beta,21alpha-diol
Common Name: 5alpha-Gammacerane-3beta,21alpha-diol
Synonyms: 5alpha-Gammacerane-3beta,21alpha-diol
CAS Registry Number:
InChI: InChI=1S/C30H52O2/c1-25(2)19-11-17-29(7)21(27(19,5)15-13-23(25)31)9-10-22-28(6)16-14-24(32)26(3,4)20(28)12-18-30(22,29)8/h19-24,31-32H,9-18H2,1-8H3/t19-,20-,21+,22+,23-,24-,27-,28-,29+,30+/m0/s1
InChIKey: InChIKey=QIRODTHVSNBDCB-WZKCUUPDSA-N
Formula: C30H52O2
Molecular Weight: 444.733806
Exact Mass: 444.396731
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tanaka R., Matsunaga S. Phytochemistry (1992) 31, 3535
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Gammaceranes; 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) | 38.7 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 79 |
| 4 (C) | 38.8 |
| 5 (CH) | 55.1 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 33.1 |
| 8 (C) | 41.7 |
| 9 (CH) | 50.2 |
| 10 (C) | 37 |
| 11 (CH2) | 21.2 |
| 12 (CH2) | 21.2 |
| 13 (CH) | 50.2 |
| 14 (C) | 41.7 |
| 15 (CH2) | 33.1 |
| 16 (CH2) | 18.4 |
| 17 (CH) | 55.1 |
| 18 (C) | 37 |
| 19 (CH2) | 38.7 |
| 20 (CH2) | 27.4 |
| 21 (CH) | 79 |
| 22 (C) | 38.8 |
| 23 (CH3) | 28 |
| 24 (CH3) | 15.4 |
| 25 (CH3) | 16 |
| 26 (CH3) | 16.5 |
| 27 (CH3) | 16.5 |
| 28 (CH3) | 16 |
| 29 (CH3) | 15.4 |
| 30 (CH3) | 28 |
