Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C29H34O11/c1-23-10-18-25(3)29-19(23)20(31)28(40-29,36-11-15(23)21(32)37-18)14-8-17-27(38-17)9-12(35-4)7-16(30)24(27,2)13(14)5-6-26(29,34)22(33)39-25/h12-15,17-19,34H,5-11H2,1-4H3/t12-,13+,14-,15+,17-,18-,19+,23-,24+,25+,26-,27-,28?,29+/m1/s1

InChIKey: InChIKey=CHZSVNLGISWUMU-HOTIZHKESA-N

Formula: C29H34O11

Molecular Weight: 558.574781

Exact Mass: 558.210112

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Li, Y.Z., Pan, Y.M., Huang, X.Y., Wang, H.S. Helv Chim Acta (2008) 91, 2284-91

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) 213.3
2 (CH2) 42.3
3 (CH) 73.4
4 (CH2) 36.6
5 (C) 63
6 (CH) 63.4
7 (CH2) 24.9
8 (CH) 36.7
9 (CH) 33.5
10 (C) 53.8
11 (CH2) 23.3
12 (CH2) 25.6
13 (C) 79.3
14 (C) 107
15 (C) 207.6
16 (CH) 56.1
17 (C) 80
18 (C) 172.2
19 (CH3) 15.1
20 (C) 81
21 (CH3) 21.5
22 (CH) 76.8
23 (CH2) 33
24 (C) 31.1
25 (CH) 50.8
26 (C) 166.6
27 (CH2) 60.7
28 (CH3) 26.5
3a (CH3) 56.2