Spektraris NMR
Baimantuoluosides C
Common Name: Baimantuoluosides C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H48O11/c1-15-12-21(43-30(40)17(15)14-42-31-27(39)26(38)25(37)22(13-35)44-31)16(2)18-7-8-19-24-20(9-11-32(18,19)3)33(4)23(36)6-5-10-34(33,41)29-28(24)45-29/h5-6,16,18-22,24-29,31,35,37-39,41H,7-14H2,1-4H3/t16-,18+,19-,20-,21+,22+,24-,25+,26-,27+,28-,29-,31+,32+,33-,34-/m0/s1
InChIKey: InChIKey=QRRJOHYBCSTHDL-XUAGYYIXSA-N
Formula: C34H48O11
Molecular Weight: 632.739631
Exact Mass: 632.319662
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) | 206.1 |
| 2 (CH) | 129.5 |
| 3 (CH) | 142.2 |
| 4 (CH2) | 38.1 |
| 5 (C) | 74.8 |
| 6 (CH) | 57.1 |
| 7 (CH) | 57 |
| 8 (CH) | 37.2 |
| 9 (CH) | 36.7 |
| 10 (C) | 52.4 |
| 11 (CH2) | 23 |
| 12 (CH2) | 41.2 |
| 13 (C) | 44.6 |
| 14 (CH) | 52.7 |
| 15 (CH2) | 24.6 |
| 16 (CH2) | 28.2 |
| 17 (CH) | 53 |
| 18 (CH3) | 12.4 |
| 19 (CH3) | 13.6 |
| 20 (CH) | 40.5 |
| 21 (CH3) | 15.2 |
| 22 (CH) | 80.1 |
| 23 (CH2) | 30.8 |
| 24 (C) | 160.2 |
| 25 (C) | 123.7 |
| 26 (C) | 168.6 |
| 27 (CH2) | 63.6 |
| 28 (CH3) | 20.7 |
| 1' (CH) | 104 |
| 2' (CH) | 75 |
| 3' (CH) | 78 |
| 4' (CH) | 71.6 |
| 5' (CH) | 78 |
| 6' (CH2) | 62.8 |
