Spektraris NMR
(8alpha,9beta,13alpha,14beta,17alpha,18beta)-22alpha-Hydroxy-21,21-dimethyl-29,30-dinorgammaceran-3-one
Common Name: (8alpha,9beta,13alpha,14beta,17alpha,18beta)-22alpha-Hydroxy-21,21-dimethyl-29,30-dinorgammaceran-3-one
Synonyms: (8alpha,9beta,13alpha,14beta,17alpha,18beta)-22alpha-Hydroxy-21,21-dimethyl-29,30-dinorgammaceran-3-one
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-25(2)17-18-27(5)19(24(25)32)11-15-29(7)21(27)9-10-22-28(6)14-13-23(31)26(3,4)20(28)12-16-30(22,29)8/h19-22,24,32H,9-18H2,1-8H3/t19-,20+,21+,22+,24-,27-,28+,29+,30+/m1/s1
InChIKey: InChIKey=ZQDCMFHXUJCDNU-VFVVZNAQSA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wilkins A. L., Bremer J., Ralph J., Holland P. T., Ronaldson K. J., Jager P. M., Bird P. W. Aust J Chem (1989) 42, 243
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Stictanes; 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) | 31.7 |
| 2 (CH2) | 33.9 |
| 3 (C) | 220.5 |
| 4 (C) | 47 |
| 5 (CH) | 43.4 |
| 6 (CH2) | 20.6 |
| 7 (CH2) | 33.9 |
| 8 (C) | 42 |
| 9 (CH) | 47.5 |
| 10 (C) | 36.1 |
| 11 (CH2) | 22.1 |
| 12 (CH2) | 21.3 |
| 13 (CH) | 48.6 |
| 14 (C) | 42.3 |
| 15 (CH2) | 31.7 |
| 16 (CH2) | 19.3 |
| 17 (CH) | 48.9 |
| 18 (C) | 38.6 |
| 19 (CH2) | 34.8 |
| 20 (CH2) | 35 |
| 21 (C) | 35.8 |
| 22 (CH) | 76.5 |
| 23 (CH3) | 29.4 |
| 24 (CH3) | 19.6 |
| 25 (CH3) | 23.4 |
| 26 (CH3) | 22.1 |
| 27 (CH3) | 17.2 |
| 28 (CH3) | 13.6 |
| 29 (CH3) | 29.9 |
| 30 (CH3) | 18.5 |
