Spektraris NMR
(22S,23S,24S)-2b-Acetyloxy-22,23-isopropylidenedioxy-ergost-5-ene
Common Name: (22S,23S,24S)-2b-Acetyloxy-22,23-isopropylidenedioxy-ergost-5-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H54O4/c1-19(2)20(3)29-30(37-31(6,7)36-29)21(4)26-12-13-27-25-11-10-23-18-24(35-22(5)34)14-16-32(23,8)28(25)15-17-33(26,27)9/h10,19-21,24-30H,11-18H2,1-9H3/t20-,21-,24-,25-,26+,27-,28-,29-,30-,32-,33+/m0/s1
InChIKey: InChIKey=URQVXHFPKAQFDA-HICSJJCWSA-N
Formula: C33H54O4
Molecular Weight: 514.780705
Exact Mass: 514.40221
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Watanabe, T., Noguchi, T., Yokota, T., Shibata, K., Koshino, H., Seto, H., Kim, S., Takatsuto, S. Phytochemistry (2001) 58, 343-9
Species:
Notes: Family : Steroids, Type : Campestanes; 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) | 37 |
| 2 (CH2) | 27.76 |
| 3 (CH) | 73.94 |
| 4 (CH2) | 38.1 |
| 5 (C) | 139.64 |
| 6 (CH) | 122.54 |
| 7 (CH2) | 31.8 |
| 8 (CH) | 31.87 |
| 9 (CH) | 49.97 |
| 10 (C) | 36.56 |
| 11 (CH2) | 21 |
| 12 (CH2) | 39.6 |
| 13 (C) | 42.98 |
| 14 (CH) | 56.3 |
| 15 (CH2) | 24.57 |
| 16 (CH2) | 28.52 |
| 17 (CH) | 52.34 |
| 18 (CH3) | 11.64 |
| 19 (CH3) | 19.29 |
| 20 (CH) | 39.66 |
| 21 (CH3) | 14.84 |
| 22 (CH) | 83.2 |
| 23 (CH) | 80.81 |
| 24 (CH) | 41.97 |
| 25 (CH) | 26.89 |
| 26 (CH3) | 16.43 |
| 27 (CH3) | 22.02 |
| 3a (C) | 170.55 |
| 3b (CH3) | 21.45 |
| 22a (C) | 107.22 |
| 22aa (CH3) | 27.61 |
| 22ab (CH3) | 27.76 |
| 24a (CH3) | 11.02 |
