Spektraris NMR
Withaphysalin F Û O
Common Name: Withaphysalin F Û O
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O7/c1-6-34-26-29-12-11-18-17(14-24-30(36-24)22(32)10-9-21(31)27(18,30)4)19(29)7-8-20(29)28(5,37-26)23-13-15(2)16(3)25(33)35-23/h9-10,17-20,22-24,26,32H,6-8,11-14H2,1-5H3/t17-,18+,19+,20-,22+,23-,24-,26?,27+,28-,29-,30-/m1/s1
InChIKey: InChIKey=KBKOFWYPSMINIY-MCRWPRFKSA-N
Formula: C30H40O7
Molecular Weight: 512.635542
Exact Mass: 512.277404
NMR Solvent: CDCl3
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) | 202.6 |
| 2 (CH) | 132.7 |
| 3 (CH) | 142.2 |
| 4 (CH) | 70.3 |
| 5 (C) | 64.3 |
| 6 (CH) | 62.9 |
| 7 (CH2) | 31.7 |
| 8 (CH) | 31.3 |
| 9 (CH) | 44.1 |
| 10 (C) | 48.2 |
| 11 (CH2) | 24.5 |
| 12 (CH2) | 35.2 |
| 13 (C) | 57.9 |
| 14 (CH) | 56.8 |
| 15 (CH2) | 26.6 |
| 16 (CH2) | 25.9 |
| 17 (CH) | 56.8 |
| 18 (CH) | 106.7 |
| 19 (CH3) | 17.7 |
| 20 (C) | 84.9 |
| 21 (CH3) | 21.4 |
| 22 (CH) | 81.1 |
| 23 (CH2) | 31.8 |
| 24 (C) | 148 |
| 25 (C) | 122.8 |
| 26 (C) | 166.3 |
| 27 (CH3) | 12.9 |
| 28 (CH3) | 20.8 |
| 18a (CH2) | 64.2 |
| 18b (CH3) | 15.6 |
