Spektraris NMR
Withangulatin G
Common Name: Withangulatin G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O10/c1-13-10-21(38-22(33)14(13)2)25(5,34)28(37)20(32)12-26(35)16-11-19(31)27(36)18(30)7-6-17(29)24(27,4)15(16)8-9-23(26,28)3/h6-7,15-16,18-21,30-32,34-37H,8-12H2,1-5H3/t15-,16+,18-,19+,20-,21+,23-,24-,25-,26+,27-,28-/m0/s1
InChIKey: InChIKey=AXVGKUKJECSDCD-AEJAVBLBSA-N
Formula: C28H40O10
Molecular Weight: 536.612285
Exact Mass: 536.262148
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Damu, A.G., Kuo, P.C., Su, C.R., Kuo, T.H., Chen, T.H., Bastow, K.F., Lee, K.H., Wu, T.S. J Nat Prod (2007) 70, 1146-52
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) | 202.1 |
| 2 (CH) | 126.3 |
| 3 (CH) | 147.3 |
| 4 (CH) | 64.9 |
| 5 (C) | 79.7 |
| 6 (CH) | 66.7 |
| 7 (CH2) | 30.8 |
| 8 (CH) | 39.7 |
| 9 (CH) | 39.4 |
| 10 (C) | 57.9 |
| 11 (CH2) | 23.6 |
| 12 (CH2) | 36.8 |
| 13 (C) | 55.2 |
| 14 (C) | 81.9 |
| 15 (CH2) | 37.2 |
| 16 (CH) | 81.5 |
| 17 (C) | 88 |
| 18 (CH3) | 21.3 |
| 19 (CH3) | 10.1 |
| 20 (C) | 75 |
| 21 (CH3) | 19.6 |
| 22 (CH) | 81.4 |
| 23 (CH2) | 35.1 |
| 24 (C) | 151.3 |
| 25 (C) | 121.4 |
| 26 (C) | 167 |
| 27 (CH3) | 12.5 |
| 28 (CH3) | 20.2 |
