Spektraris NMR
Baimantuoluosides C
Common Name: Baimantuoluosides C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O6/c1-14-12-20(33-25(31)16(14)13-29)15(2)17-7-8-18-22-19(9-11-26(17,18)3)27(4)21(30)6-5-10-28(27,32)24-23(22)34-24/h5-6,15,17-20,22-24,29,32H,7-13H2,1-4H3/t15-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1
InChIKey: InChIKey=AWVMHXZWAKRDGG-MEBIVHGNSA-N
Formula: C28H38O6
Molecular Weight: 470.598783
Exact Mass: 470.266839
NMR Solvent: C5D5N
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) | 203.6 |
| 2 (CH) | 129.2 |
| 3 (CH) | 140.6 |
| 4 (CH2) | 38 |
| 5 (C) | 74 |
| 6 (CH) | 56.6 |
| 7 (CH) | 56.4 |
| 8 (CH) | 36.5 |
| 9 (CH) | 36.2 |
| 10 (C) | 51.8 |
| 11 (CH2) | 22.5 |
| 12 (CH2) | 40.4 |
| 13 (C) | 43.4 |
| 14 (CH) | 51.8 |
| 15 (CH2) | 24 |
| 16 (CH2) | 27.4 |
| 17 (CH) | 52.1 |
| 18 (CH3) | 12.4 |
| 19 (CH3) | 15.1 |
| 20 (CH) | 39.3 |
| 21 (CH3) | 13.6 |
| 22 (CH) | 78.4 |
| 23 (CH2) | 30.1 |
| 24 (C) | 153.8 |
| 25 (C) | 127.3 |
| 26 (C) | 166.2 |
| 27 (CH2) | 56.3 |
| 28 (CH3) | 20.4 |
