Spektraris NMR
20a-acetoxy-6a,22-dihydroxyhopane
Common Name: 20a-acetoxy-6a,22-dihydroxyhopane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H54O4/c1-19(33)36-22-18-30(7)20(25(22)28(4,5)35)13-16-31(8)24(30)12-11-23-29(6)15-10-14-27(2,3)26(29)21(34)17-32(23,31)9/h20-26,34-35H,10-18H2,1-9H3/t20-,21-,22-,23+,24+,25+,26-,29+,30-,31+,32+/m0/s1
InChIKey: InChIKey=YMCJSRMATJHYQF-UDPBJWBJSA-N
Formula: C32H54O4
Molecular Weight: 502.769969
Exact Mass: 502.40221
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Elix J.A., Whitton A.A., Jones A.J. Aust J Chem (1982) 35, 641-7
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) | 18.5 |
| 3 (CH2) | 43.8 |
| 4 (C) | 33.7 |
| 5 (CH) | 61 |
| 6 (CH) | 68.7 |
| 7 (CH2) | 44.7 |
| 8 (C) | 43 |
| 9 (CH) | 49.1 |
| 10 (C) | 39.5 |
| 11 (CH2) | 21.2 |
| 12 (CH2) | 23.7 |
| 13 (CH) | 49.4 |
| 14 (C) | 41.8 |
| 15 (CH2) | 33.7 |
| 16 (CH2) | 21.5 |
| 17 (CH) | 53 |
| 18 (C) | 43.9 |
| 19 (CH2) | 47.7 |
| 20 (CH) | 78.1 |
| 21 (CH) | 56.9 |
| 22 (C) | 72.8 |
| 23 (CH3) | 36.8 |
| 24 (CH3) | 21.8 |
| 25 (CH3) | 17.1 |
| 26 (CH3) | 18.9 |
| 27 (CH3) | 16.9 |
| 28 (CH3) | 17.4 |
| 29 (CH3) | 28.3 |
| 30 (CH3) | 30.8 |
| 20a (C) | 171 |
| 20b (CH3) | 21.2 |
