Spektraris NMR
Baimantuoluoline C
Common Name: Baimantuoluoline C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H42O8/c1-15-10-22(37-26(34)18(15)14-36-4)17(13-30)20-8-7-19-16-11-25(33)29(35)9-5-6-23(31)28(29,3)21(16)12-24(32)27(19,20)2/h5-6,16-17,19-22,24-25,30,32-33,35H,7-14H2,1-4H3/t16-,17+,19-,20+,21-,22+,24+,25-,27-,28-,29-/m0/s1
InChIKey: InChIKey=BOFMUGXANDFGGL-UPYDOUBHSA-N
Formula: C29H42O8
Molecular Weight: 518.640092
Exact Mass: 518.287968
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Yang, B.Y., Wang, Q.H., Xia, Y.G., Feng, W.S., Kuang, H.X. Helv Chim Acta (2007) 90, 1522-8
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) | 207.3 |
| 2 (CH) | 128.9 |
| 3 (CH) | 144 |
| 4 (CH2) | 36.5 |
| 5 (C) | 78.2 |
| 6 (CH) | 75.2 |
| 7 (CH2) | 33.9 |
| 8 (CH) | 30.4 |
| 9 (CH) | 41 |
| 10 (C) | 52.8 |
| 11 (CH2) | 33.6 |
| 12 (CH) | 80 |
| 13 (C) | 49.6 |
| 14 (CH) | 55.3 |
| 15 (CH2) | 24.9 |
| 16 (CH2) | 28.8 |
| 17 (CH) | 49.3 |
| 18 (CH3) | 8.3 |
| 19 (CH3) | 16.1 |
| 20 (CH) | 47.5 |
| 21 (CH2) | 60.5 |
| 22 (CH) | 79.5 |
| 23 (CH2) | 33.6 |
| 24 (C) | 160.5 |
| 25 (C) | 123.7 |
| 26 (C) | 168.3 |
| 27 (CH2) | 66.5 |
| 28 (CH3) | 20.5 |
| 27a (CH3) | 58.4 |
