Spektraris NMR
Baimantuoluosides A
Common Name: Baimantuoluosides A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H48O12/c1-14-10-20(44-30(41)16(14)13-43-31-27(40)26(39)25(38)21(12-35)45-31)15(2)17-7-8-18-24-19(11-23(37)32(17,18)3)33(4)22(36)6-5-9-34(33,42)29-28(24)46-29/h5-6,15,17-21,23-29,31,35,37-40,42H,7-13H2,1-4H3/t15-,17+,18-,19-,20+,21+,23+,24-,25+,26-,27+,28-,29-,31+,32+,33-,34-/m0/s1
InChIKey: InChIKey=AIYMAHAWOXSLTP-YTNWMXSPSA-N
Formula: C34H48O12
Molecular Weight: 648.739036
Exact Mass: 648.314577
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) | 205.7 |
| 2 (CH) | 129.4 |
| 3 (CH) | 142.4 |
| 4 (CH2) | 38 |
| 5 (C) | 74.8 |
| 6 (CH) | 57 |
| 7 (CH) | 56.9 |
| 8 (CH) | 36.5 |
| 9 (CH) | 34.7 |
| 10 (C) | 52.3 |
| 11 (CH2) | 33.3 |
| 12 (CH) | 78.3 |
| 13 (C) | 49.7 |
| 14 (CH) | 50.9 |
| 15 (CH2) | 23.8 |
| 16 (CH2) | 27.5 |
| 17 (CH) | 54.6 |
| 18 (CH3) | 8 |
| 19 (CH3) | 15.1 |
| 20 (CH) | 38.9 |
| 21 (CH3) | 15.4 |
| 22 (CH) | 80.8 |
| 23 (CH2) | 32.4 |
| 24 (C) | 160.3 |
| 25 (C) | 123.6 |
| 26 (C) | 168.6 |
| 27 (CH2) | 63.5 |
| 28 (CH3) | 20.7 |
| 1' (CH) | 103.9 |
| 2' (CH) | 75 |
| 3' (CH) | 78 |
| 4' (CH) | 71.6 |
| 5' (CH) | 78 |
| 6' (CH2) | 62.8 |
