2,3-Anhydro-4-deoxy-5-{1-[(4bR,6S,10aR,10bS)-6-hydroxy-10a-methyl-10-oxo-4b,5,6,10,10a,10b,11,12-octahydro-2-chrysenyl]ethyl}-2,3-dimethyl-α-L-erythro-pentopyranose

2,3-Anhydro-4-deoxy-5-{1-[(4bR,6S,10aR,10bS)-6-hydroxy-10a-methyl-10-oxo-4b,5,6,10,10a,10b,11,12-octahydro-2-chrysenyl]ethyl}-2,3-dimethyl-α-L-erythro-pentopyranose

Common Name: 2,3-Anhydro-4-deoxy-5-{1-[(4bR,6S,10aR,10bS)-6-hydroxy-10a-methyl-10-oxo-4b,5,6,10,10a,10b,11,12-octahydro-2-chrysenyl]ethyl}-2,3-dimethyl-α-L-erythro-pentopyranose

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H34O5/c1-15(23-14-26(2)28(4,33-26)25(31)32-23)16-8-10-18-17(12-16)9-11-20-19(18)13-22(29)21-6-5-7-24(30)27(20,21)3/h5-8,10,12,15,19-20,22-23,25,29,31H,9,11,13-14H2,1-4H3/t15-,19-,20-,22-,23?,25+,26-,27+,28+/m0/s1

InChIKey: InChIKey=CJWGCTPJWYFIHB-SARRKJPGSA-N

Formula: C28H34O5

Molecular Weight: 450.567615

Exact Mass: 450.240624

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Bado, S., Mareggiani, G., Amiano, N., Burton, G., Veleiro, A.S. J Agric Food Chem (2004) 52, 2875

Species:

Notes: Family : Steroids, Type : Abeo-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) 204.3
2 (CH) 111.2
3 (CH) 141.2
4 (CH) 124.4
5 (C) 161.4
6 (CH) 68.9
7 (CH2) 43
8 (CH) 46.7
9 (CH) 36.6
10 (C) 54
11 (CH2) 21.6
12 (CH2) 30.3
13 (C) 136.6
14 (C) 136.3
15 (CH) 125.4
16 (CH) 125.5
17 (C) 140.9
18 (CH) 128.7
19 (CH3) 14.1
20 (CH) 43.1
21 (CH3) 17.4
22 (CH) 67.4
23 (CH2) 33.9
24 (C) 64.9
25 (C) 63.5
26 (CH) 91.6
27 (CH3) 16.5
28 (CH3) 18.6