Spektraris NMR
Glaucanol B Acetate
Common Name: Glaucanol B Acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H48O2/c1-19(30)31-21-12-16-26(4)20(21)11-17-28(6)23(26)9-10-24-27(5)15-8-14-25(2,3)22(27)13-18-29(24,28)7/h20-24H,8-18H2,1-7H3/t20-,21+,22-,23+,24+,26-,27-,28+,29+/m0/s1
InChIKey: InChIKey=CGTGHBWPWUEMOV-RWRWHMSNSA-N
Formula: C29H48O2
Molecular Weight: 428.691307
Exact Mass: 428.365431
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shiojima, K., Sasaki, Y., Ageta, H. Chem Pharm Bull (1993) 41, 268-71
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Hopanes; 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) | 40.3 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 42.1 |
| 4 (C) | 33.3 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 33.3 |
| 8 (C) | 42 |
| 9 (CH) | 50.4 |
| 10 (C) | 37.4 |
| 11 (CH2) | 20.8 |
| 12 (CH2) | 23.2 |
| 13 (CH) | 48.6 |
| 14 (C) | 42.2 |
| 15 (CH2) | 32.2 |
| 16 (CH2) | 28.9 |
| 17 (CH) | 55.3 |
| 18 (C) | 42.5 |
| 19 (CH2) | 39 |
| 20 (CH2) | 20.3 |
| 21 (CH) | 78 |
| 23 (CH3) | 33.4 |
| 24 (CH3) | 21.6 |
| 25 (CH3) | 15.9 |
| 26 (CH3) | 16.7 |
| 27 (CH3) | 16.3 |
| 28 (CH3) | 15.1 |
| 21a (C) | 171.5 |
| 21b (CH3) | 21.3 |
