Spektraris NMR
Baimantuoluoline D
Common Name: Baimantuoluoline D
Synonyms: Baimantuoluoline D
CAS Registry Number:
InChI: InChI=1S/C29H42O8/c1-26-12-21(37-25(33)20(26)14-35-4)16(13-36-26)18-8-7-17-15-10-24(32)29(34)9-5-6-22(30)28(29,3)19(15)11-23(31)27(17,18)2/h5-6,15-21,23-24,31-32,34H,7-14H2,1-4H3/t15-,16-,17-,18+,19-,20+,21+,23+,24+,26+,27-,28-,29-/m0/s1
InChIKey: InChIKey=BITPKXAIIYSKLI-QPVLULDUSA-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 (2008) 91, 964-71
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) | 207.2 |
| 2 (CH) | 128.9 |
| 3 (CH) | 144 |
| 4 (CH2) | 36.5 |
| 5 (C) | 78.2 |
| 6 (CH) | 75.1 |
| 7 (CH2) | 33.7 |
| 8 (CH) | 30.7 |
| 9 (CH) | 40.8 |
| 10 (C) | 52.8 |
| 11 (CH2) | 34.8 |
| 12 (CH) | 78.1 |
| 13 (C) | 49 |
| 14 (CH) | 54.7 |
| 15 (CH2) | 24.4 |
| 16 (CH2) | 26.1 |
| 17 (CH) | 51 |
| 18 (CH3) | 8 |
| 19 (CH3) | 16.2 |
| 20 (CH) | 38.8 |
| 21 (CH2) | 62.8 |
| 22 (CH) | 78.2 |
| 23 (CH2) | 34.3 |
| 24 (C) | 71.9 |
| 25 (CH) | 50.8 |
| 26 (C) | 174.8 |
| 27 (CH2) | 70.3 |
| 28 (CH3) | 27.1 |
| 27a (CH3) | 58.8 |
