Spektraris NMR
Baimantuoluosides B
Common Name: Baimantuoluosides B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O7/c1-13-10-19(34-25(32)15(13)12-29)14(2)16-7-8-17-22-18(11-21(31)26(16,17)3)27(4)20(30)6-5-9-28(27,33)24-23(22)35-24/h5-6,14,16-19,21-24,29,31,33H,7-12H2,1-4H3/t14-,16+,17-,18-,19+,21-,22-,23-,24-,26+,27-,28-/m0/s1
InChIKey: InChIKey=ZYXVOZNURJLMFP-BNNRDBEOSA-N
Formula: C28H38O7
Molecular Weight: 486.598188
Exact Mass: 486.261754
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kuang, H.X., Yang, B.Y., Tang, L., Xia, Y.G., Dou, D.Q. Helv Chim Acta (2009) 92, 1315-23
Species:
Notes: Family : Steroids, Type : Ergostanes, Group : Withanolides; 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 (C) | 206 |
| 2 (CH) | 129.5 |
| 3 (CH) | 142.4 |
| 4 (CH2) | 38 |
| 5 (C) | 74.9 |
| 6 (CH) | 57.3 |
| 7 (CH) | 57 |
| 8 (CH) | 37.4 |
| 9 (CH) | 29.9 |
| 10 (C) | 52.2 |
| 11 (CH2) | 30.6 |
| 12 (CH) | 73.8 |
| 13 (C) | 48.3 |
| 14 (CH) | 45 |
| 15 (CH2) | 24.2 |
| 16 (CH2) | 27.6 |
| 17 (CH) | 44 |
| 18 (CH3) | 12.8 |
| 19 (CH3) | 15.2 |
| 20 (CH) | 40.6 |
| 21 (CH3) | 12.2 |
| 22 (CH) | 80.3 |
| 23 (CH2) | 30.8 |
| 24 (C) | 157.9 |
| 25 (C) | 126.4 |
| 26 (C) | 168.6 |
| 27 (CH2) | 56.4 |
| 28 (CH3) | 20.2 |
