Spektraris NMR
25-Ethyl,23-methyl-19-nor-24-methylene-3,4-seco-4(28)-lanosten-10,3-olide
Common Name: 25-Ethyl,23-methyl-19-nor-24-methylene-3,4-seco-4(28)-lanosten-10,3-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H54O2/c1-11-30(7,8)24(6)22(4)20-23(5)26-14-17-32(10)27-13-12-25(21(2)3)33(19-16-29(34)35-33)28(27)15-18-31(26,32)9/h22-23,25-28H,2,6,11-20H2,1,3-5,7-10H3/t22?,23?,25-,26+,27+,28-,31+,32-,33?/m0/s1
InChIKey: InChIKey=HDSISRBVLGLNDA-CHTVMPQBSA-N
Formula: C33H54O2
Molecular Weight: 482.781895
Exact Mass: 482.412381
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - El-Dib, R., Kaloga, M., Mahmoud, I., Soliman, H.S., Moharram, F.A., Kolodziej, H. Phytochemistry (2004) 65, 1153-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 29.61 |
| 2 (CH2) | 31.58 |
| 3 (C) | 177.23 |
| 4 (C) | 146.73 |
| 5 (CH) | 54.85 |
| 6 (CH2) | 29.71 |
| 7 (CH2) | 31.47 |
| 8 (CH) | 48.48 |
| 9 (CH) | 31.77 |
| 10 (C) | 91.69 |
| 11 (CH2) | 49.21 |
| 12 (CH2) | 32.72 |
| 13 (C) | 45.52 |
| 14 (C) | 49.23 |
| 15 (CH2) | 33.4 |
| 16 (CH2) | 27.96 |
| 17 (CH) | 50.88 |
| 18 (CH3) | 14.7 |
| 20 (CH) | 37.32 |
| 21 (CH3) | 18.62 |
| 22 (CH2) | 30.61 |
| 23 (CH) | 27.85 |
| 24 (C) | 156.7 |
| 25 (C) | 39.56 |
| 26 (CH3) | 26.97 |
| 27 (CH3) | 26.97 |
| 28 (CH2) | 115 |
| 29 (CH3) | 22.7 |
| 30 (CH3) | 16.74 |
| 31 (CH3) | 18.71 |
| 24a (CH2) | 107.54 |
| 25a (CH2) | 33.3 |
| 25b (CH3) | 9.03 |
