2,3-Anhydro-4-deoxy-5-{1-[(4bR,6aR,10aR,10bS)-6a-hydroxy-10a-methyl-6,10-dioxo-4b,5,6,6a,7,10,10a,10b,11,12-decahydro-2-chrysenyl]ethyl}-2,3-dimethyl-α-L-erythro-pentopyranose

2,3-Anhydro-4-deoxy-5-{1-[(4bR,6aR,10aR,10bS)-6a-hydroxy-10a-methyl-6,10-dioxo-4b,5,6,6a,7,10,10a,10b,11,12-decahydro-2-chrysenyl]ethyl}-2,3-dimethyl-α-L-erythro-pentopyranose

Common Name: 2,3-Anhydro-4-deoxy-5-{1-[(4bR,6aR,10aR,10bS)-6a-hydroxy-10a-methyl-6,10-dioxo-4b,5,6,6a,7,10,10a,10b,11,12-decahydro-2-chrysenyl]ethyl}-2,3-dimethyl-α-L-erythro-pentopyranose

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H34O6/c1-15(21-14-25(2)27(4,34-25)24(31)33-21)16-7-9-18-17(12-16)8-10-20-19(18)13-23(30)28(32)11-5-6-22(29)26(20,28)3/h5-7,9,12,15,19-21,24,31-32H,8,10-11,13-14H2,1-4H3/t15-,19-,20-,21?,24+,25-,26-,27+,28-/m0/s1

InChIKey: InChIKey=QMDUJIRHFOCTSV-PMGLTICYSA-N

Formula: C28H34O6

Molecular Weight: 466.56702

Exact Mass: 466.235539

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) 202
2 (CH) 128.8
3 (CH) 141
4 (CH2) 31.4
5 (C) 82
6 (C) 209.6
7 (CH2) 41
8 (CH) 39.4
9 (CH) 37.5
10 (C) 55.3
11 (CH2) 26.2
12 (CH2) 30.5
13 (C) 137
14 (C) 136.7
15 (CH) 125.9
16 (CH) 125.4
17 (C) 140.7
18 (CH) 128
19 (CH3) 13.1
20 (CH) 43
21 (CH3) 17.2
22 (CH) 67.4
23 (CH2) 33.8
24 (C) 64.7
25 (C) 63.6
26 (CH) 91.6
27 (CH3) 16.4
28 (CH3) 18.7