Spektraris NMR
(22R,23R,24S)-2a,3a,22,23-Bisisopropylidenedioxy-26-nor-5a-ergostan-6-one
Common Name: (22R,23R,24S)-2a,3a,22,23-Bisisopropylidenedioxy-26-nor-5a-ergostan-6-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H54O5/c1-10-18(2)28-29(38-31(6,7)37-28)19(3)21-11-12-22-20-15-25(34)24-16-26-27(36-30(4,5)35-26)17-33(24,9)23(20)13-14-32(21,22)8/h18-24,26-29H,10-17H2,1-9H3/t18-,19-,20-,21+,22-,23-,24+,26-,27+,28+,29+,32+,33+/m0/s1
InChIKey: InChIKey=HSHCFTOLENWCKU-LPDHUQNYSA-N
Formula: C33H54O5
Molecular Weight: 530.78011
Exact Mass: 530.397125
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) | 41.11 |
| 2 (CH) | 72.35 |
| 3 (CH) | 72.15 |
| 4 (CH2) | 22.57 |
| 5 (CH) | 51.48 |
| 6 (C) | 211.45 |
| 7 (CH2) | 46.9 |
| 8 (CH) | 37.62 |
| 9 (CH) | 53.31 |
| 10 (C) | 42.51 |
| 11 (CH2) | 21.13 |
| 12 (CH2) | 39.14 |
| 13 (C) | 42.8 |
| 14 (CH) | 56.4 |
| 15 (CH2) | 23.88 |
| 16 (CH2) | 27.76 |
| 17 (CH) | 53.37 |
| 18 (CH3) | 11.71 |
| 19 (CH3) | 12.68 |
| 20 (CH) | 36.72 |
| 21 (CH3) | 12.68 |
| 22 (CH) | 80.22 |
| 23 (CH) | 81.11 |
| 24 (CH) | 37.25 |
| 25 (CH2) | 26.58 |
| 26 (CH3) | 14.21 |
| 2a (C) | 107.65 |
| 2aa (CH3) | 26.53 |
| 2ab (CH3) | 28.65 |
| 22a (C) | 107.89 |
| 22aa (CH3) | 27.25 |
| 22ab (CH3) | 27.25 |
| 24a (CH3) | 11.67 |
