Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H38O7/c1-14-12-20(36-27(33)15(14)2)16(3)24-21(35-17(4)31)13-19-23-18(9-11-28(19,24)5)29(6)22(32)8-7-10-30(29,34)26-25(23)37-26/h7-8,18-21,23,25-26,34H,9-13H2,1-6H3/b24-16+/t18-,19-,20+,21-,23+,25-,26-,28-,29-,30-/m0/s1

InChIKey: InChIKey=LNGNKHSYFSLHKD-CZVCFZMLSA-N

Formula: C30H38O7

Molecular Weight: 510.61966

Exact Mass: 510.261754

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Gil, R.R., Misico, R.I., Sotes, I.R., Oberti, J.C., Veleiro, A.S., Burton, G. J Nat Prod (1997) 60, 568-72

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) 202.9
2 (CH) 129
3 (CH) 139.7
4 (CH2) 36.7
5 (C) 73.2
6 (CH) 56.3
7 (CH) 56.7
8 (CH) 35.2
9 (CH) 35.4
10 (C) 50.9
11 (CH2) 22
12 (CH2) 37.4
13 (C) 45.1
14 (CH) 47.5
15 (CH2) 31.9
16 (CH) 76.6
17 (C) 147.3
18 (CH3) 16.4
19 (CH3) 14.6
20 (C) 128.5
21 (CH3) 12.9
22 (CH) 72.8
23 (CH2) 33.8
24 (C) 149.3
25 (C) 121.8
26 (C) 166.6
27 (CH3) 12.5
28 (CH3) 20.3
16a (C) 171.2
16b (CH3) 21.2