Withaphysanolide A

Withaphysanolide A

Common Name: Withaphysanolide A

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H34O5/c1-15-14-23(31-24(29)16(15)2)26(4)19-12-13-30-27(32-26)20-9-8-17-6-5-7-22(28)25(17,3)18(20)10-11-21(19)27/h5,7-8,18-21,23H,6,9-14H2,1-4H3/t18-,19-,20+,21?,23+,25-,26+,27-/m0/s1

InChIKey: InChIKey=LKSAQFIHVGLEAE-SIZSHQLISA-N

Formula: C27H34O5

Molecular Weight: 438.556879

Exact Mass: 438.240624

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ma, L., Ali, M., Arfan, M., Lou, L.G., Hu, L.H. Tetrahedron Lett (2007) 48, 449-52

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) 204.1
2 (CH) 127.8
3 (CH) 145.4
4 (CH2) 33.4
5 (C) 134.1
6 (CH) 125.3
7 (CH2) 23
8 (CH) 43.4
9 (CH) 38.5
10 (C) 50.4
11 (CH2) 28.3
12 (CH2) 22.9
13 (CH) 46.1
14 (C) 104.9
15 (CH2) 59.3
16 (CH2) 21.4
17 (CH) 42.1
19 (CH3) 18.7
20 (C) 83.9
21 (CH3) 20.6
22 (CH) 78.2
23 (CH2) 32.6
24 (C) 147.4
25 (C) 122.6
26 (C) 165.8
27 (CH3) 12.5
28 (CH3) 20.3