Spektraris NMR
Withafastuosin E
Common Name: Withafastuosin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O7/c1-15-11-22(35-25(33)17(15)13-29)18(14-30)20-7-6-19-16-12-24(32)28(34)9-4-5-23(31)27(28,3)21(16)8-10-26(19,20)2/h4-5,16,18-22,24,29-30,32,34H,6-14H2,1-3H3/t16-,18+,19-,20+,21-,22+,24-,26-,27-,28-/m0/s1
InChIKey: InChIKey=UCOUIXCKSZUAKU-UEUAQXGFSA-N
Formula: C28H40O7
Molecular Weight: 488.61407
Exact Mass: 488.277404
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 (2007) 90, 1522-8
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) | 207.6 |
| 2 (CH) | 129 |
| 3 (CH) | 143.9 |
| 4 (CH2) | 36.6 |
| 5 (C) | 78.3 |
| 6 (CH) | 75.2 |
| 7 (CH2) | 34.1 |
| 8 (CH) | 31.4 |
| 9 (CH) | 40.5 |
| 10 (C) | 53 |
| 11 (CH2) | 24.5 |
| 12 (CH2) | 42.6 |
| 13 (C) | 44 |
| 14 (CH) | 57 |
| 15 (CH2) | 25.3 |
| 16 (CH2) | 28.1 |
| 17 (CH) | 46.9 |
| 18 (CH3) | 13 |
| 19 (CH3) | 16.3 |
| 20 (CH) | 46.9 |
| 21 (CH2) | 60 |
| 22 (CH) | 79.4 |
| 23 (CH2) | 33.9 |
| 24 (C) | 158.6 |
| 25 (C) | 126.3 |
| 26 (C) | 168.6 |
| 27 (CH2) | 56.4 |
| 28 (CH3) | 20.2 |
