Spektraris NMR
Withaphysalin N)
Common Name: Withaphysalin N)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O7/c1-13-11-21(33-23(31)14(13)2)26(4)18-6-5-17-15-12-22-28(34-22)20(30)8-7-19(29)25(28,3)16(15)9-10-27(17,18)24(32)35-26/h15-18,20-22,30H,5-12H2,1-4H3/t15-,16+,17+,18-,20+,21-,22-,25+,26-,27-,28-/m1/s1
InChIKey: InChIKey=PGJRQHKPPYIVQE-BGDMQGTOSA-N
Formula: C28H36O7
Molecular Weight: 484.582307
Exact Mass: 484.246104
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Veras, M.L., Bezerra, M.Z., Lemos, T.L., Uchoa, D.E., Braz-Filho, R., Chai, H.B., Cordell, G.A., Pessoa, O.D. J Nat Prod (2004) 67, 710-3
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) | 211.2 |
| 2 (CH2) | 32.2 |
| 3 (CH2) | 32.3 |
| 4 (CH) | 73.1 |
| 5 (C) | 67.3 |
| 6 (CH) | 57.3 |
| 7 (CH2) | 27.9 |
| 8 (CH) | 28.8 |
| 9 (CH) | 42.8 |
| 10 (C) | 51.2 |
| 11 (CH2) | 21.8 |
| 12 (CH2) | 35.1 |
| 13 (C) | 55.7 |
| 14 (CH) | 56 |
| 15 (CH2) | 27.2 |
| 16 (CH2) | 25.9 |
| 17 (CH) | 52.3 |
| 18 (C) | 177.9 |
| 19 (CH3) | 15.8 |
| 20 (C) | 84.5 |
| 21 (CH3) | 22.7 |
| 22 (CH) | 79.3 |
| 23 (CH2) | 31.2 |
| 24 (C) | 148.6 |
| 25 (C) | 122.3 |
| 26 (C) | 165.4 |
| 27 (CH3) | 12.8 |
| 28 (CH3) | 20.2 |
