Spektraris NMR
17b,21b-epoxy-16a-ethoxyhopan-3b-ol
Common Name: 17b,21b-epoxy-16a-ethoxyhopan-3b-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H54O3/c1-10-34-25-19-30(9)23(29(8)17-18-31(20(2)3)32(25,29)35-31)12-11-22-27(6)15-14-24(33)26(4,5)21(27)13-16-28(22,30)7/h20-25,33H,10-19H2,1-9H3/t21-,22+,23+,24-,25+,27-,28+,29+,30+,31-,32-/m0/s1
InChIKey: InChIKey=VXGFTFVZVXNHMW-VBBBHXNZSA-N
Formula: C32H54O3
Molecular Weight: 486.770564
Exact Mass: 486.407296
NMR Solvent: C6D6
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) | 38.9 |
| 2 (CH2) | 27.9 |
| 3 (CH) | 78.5 |
| 4 (C) | 39 |
| 5 (CH) | 55.6 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 32.8 |
| 8 (C) | 42.2 |
| 9 (CH) | 49.8 |
| 10 (C) | 37.3 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 23.5 |
| 13 (CH) | 43.9 |
| 14 (C) | 42.5 |
| 15 (CH2) | 32.4 |
| 16 (CH) | 77.8 |
| 17 (C) | 75.6 |
| 18 (C) | 42.8 |
| 19 (CH2) | 36 |
| 20 (CH2) | 23.3 |
| 21 (C) | 73.4 |
| 22 (CH) | 28.5 |
| 23 (CH3) | 28.3 |
| 24 (CH3) | 15.7 |
| 25 (CH3) | 16.5 |
| 26 (CH3) | 16.9 |
| 27 (CH3) | 16.1 |
| 28 (CH3) | 17.5 |
| 29 (CH3) | 19.1 |
| 30 (CH3) | 19 |
| 16a (CH2) | 64.2 |
| 16b (CH3) | 15.7 |
