Spektraris NMR
17β,21β-Epoxyhopan-3-one
Common Name: 17β,21β-Epoxyhopan-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O2/c1-19(2)29-17-15-28(8)22-10-9-21-25(5)13-12-23(31)24(3,4)20(25)11-14-26(21,6)27(22,7)16-18-30(28,29)32-29/h19-22H,9-18H2,1-8H3/t20-,21+,22-,25-,26+,27+,28+,29-,30-/m0/s1
InChIKey: InChIKey=CMWZPPYBIGXKPR-LPSJIVJRSA-N
Formula: C30H48O2
Molecular Weight: 440.702043
Exact Mass: 440.365431
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kakuda, R., Iijima, T., Yaoita, Y., Machida, K., Kikuchi, M. Phytochemistry (2002) 59, 791-4
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) | 39.7 |
| 2 (CH2) | 34.2 |
| 3 (C) | 217.5 |
| 4 (C) | 47.4 |
| 5 (CH) | 55 |
| 6 (CH2) | 19.7 |
| 7 (CH2) | 32.6 |
| 8 (C) | 41.9 |
| 9 (CH) | 49.8 |
| 10 (C) | 36.9 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 23.3 |
| 13 (CH) | 43.38 |
| 14 (C) | 42.1 |
| 15 (CH2) | 29.2 |
| 16 (CH2) | 20.2 |
| 17 (C) | 76.3 |
| 18 (C) | 43.42 |
| 19 (CH2) | 34.6 |
| 20 (CH2) | 23.3 |
| 21 (C) | 75.9 |
| 22 (CH) | 28.5 |
| 23 (CH3) | 26.6 |
| 24 (CH3) | 21.1 |
| 25 (CH3) | 15.78 |
| 26 (CH3) | 16.4 |
| 27 (CH3) | 15.8 |
| 28 (CH3) | 18 |
| 29 (CH3) | 19.2 |
| 30 (CH3) | 18.4 |
