Spektraris NMR
Hop-17(21)-en-3beta-ol acetate
Common Name: Hop-17(21)-en-3beta-ol acetate
Synonyms: Hop-17(21)-en-3beta-ol acetate
CAS Registry Number:
InChI: InChI=1S/C32H52O2/c1-20(2)22-12-16-29(6)23(22)13-18-31(8)25(29)10-11-26-30(7)17-15-27(34-21(3)33)28(4,5)24(30)14-19-32(26,31)9/h20,24-27H,10-19H2,1-9H3/t24-,25+,26+,27-,29-,30-,31+,32+/m0/s1
InChIKey: InChIKey=AKPPTDCKDJSINA-YRXYYLIWSA-N
Formula: C32H52O2
Molecular Weight: 468.755278
Exact Mass: 468.396731
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Oksuz, S., Serin, S. Phytochemistry (1997) 46, 545-8
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) | 38.5 |
| 2 (CH2) | 23.8 |
| 3 (CH) | 80.9 |
| 4 (C) | 37.8 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 33.4 |
| 8 (C) | 42 |
| 9 (CH) | 50.9 |
| 10 (C) | 37.1 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 24 |
| 13 (CH) | 49.3 |
| 14 (C) | 41.6 |
| 15 (CH2) | 31.8 |
| 16 (CH2) | 19.8 |
| 17 (C) | 136.1 |
| 18 (C) | 49.8 |
| 19 (CH2) | 41.6 |
| 20 (CH2) | 27.5 |
| 21 (C) | 139.9 |
| 22 (CH) | 26.4 |
| 23 (CH3) | 28 |
| 24 (CH3) | 16.5 |
| 25 (CH3) | 16.3 |
| 26 (CH3) | 16.3 |
| 27 (CH3) | 15 |
| 28 (CH3) | 19 |
| 29 (CH3) | 21.3 |
| 30 (CH3) | 21.9 |
| 3a (C) | 170.1 |
| 3b (CH3) | 21.3 |
