Spektraris NMR
Baimantuoluoline B
Common Name: Baimantuoluoline B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H42O7/c1-14-10-21(35-25(33)15(14)2)17(13-29)19-12-20(30)24-16-11-23(32)28(34)8-5-6-22(31)27(28,4)18(16)7-9-26(19,24)3/h16-21,23-24,29-30,32,34H,5-13H2,1-4H3/t16-,17-,18+,19-,20-,21-,23+,24-,26-,27+,28+/m1/s1
InChIKey: InChIKey=JAMJEDHAOGTJCL-RBCPCGBVSA-N
Formula: C28H42O7
Molecular Weight: 490.629951
Exact Mass: 490.293054
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) | 217 |
| 2 (CH2) | 38.2 |
| 3 (CH2) | 21.9 |
| 4 (CH2) | 31.2 |
| 5 (C) | 79.4 |
| 6 (CH) | 76.6 |
| 7 (CH2) | 33.2 |
| 8 (CH) | 27.4 |
| 9 (CH) | 42.4 |
| 10 (C) | 55.7 |
| 11 (CH2) | 23.8 |
| 12 (CH2) | 41.8 |
| 13 (C) | 43.8 |
| 14 (CH) | 61.2 |
| 15 (CH) | 70.8 |
| 16 (CH2) | 40.8 |
| 17 (CH) | 48.5 |
| 18 (CH3) | 15.8 |
| 19 (CH3) | 17.5 |
| 20 (CH) | 46.7 |
| 21 (CH2) | 60 |
| 22 (CH) | 79.5 |
| 23 (CH2) | 33.7 |
| 24 (C) | 153.5 |
| 25 (C) | 122 |
| 26 (C) | 169.5 |
| 27 (CH3) | 12.5 |
| 28 (CH3) | 20.4 |
