1-O-Acetyl-4-deoxy-2,3-di-C-methyl-5-{(1S)-1-[(4aR,5aS,6aR,12aS,12bR)-12b-methyl-1-oxo-1,5a,6,6a,11,12,12a,12b-octahydro-4H-chryseno[6,6a-b]oxiren-9-yl]ethyl}-α-D-threo-pentopyranose

1-O-Acetyl-4-deoxy-2,3-di-C-methyl-5-{(1S)-1-[(4aR,5aS,6aR,12aS,12bR)-12b-methyl-1-oxo-1,5a,6,6a,11,12,12a,12b-octahydro-4H-chryseno[6,6a-b]oxiren-9-yl]ethyl}-α-D-threo-pentopyranose

Common Name: 1-O-Acetyl-4-deoxy-2,3-di-C-methyl-5-{(1S)-1-[(4aR,5aS,6aR,12aS,12bR)-12b-methyl-1-oxo-1,5a,6,6a,11,12,12a,12b-octahydro-4H-chryseno[6,6a-b]oxiren-9-yl]ethyl}-α-D-threo-pentopyranose

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H38O7/c1-16(23-15-27(3,33)29(5,34)26(36-23)35-17(2)31)18-8-10-20-19(13-18)9-11-22-21(20)14-25-30(37-25)12-6-7-24(32)28(22,30)4/h6-8,10,13,16,21-23,25-26,33-34H,9,11-12,14-15H2,1-5H3/t16-,21-,22-,23?,25-,26-,27+,28-,29+,30-/m0/s1

InChIKey: InChIKey=DEWCXLFIFNHIHB-XJIVRPHVSA-N

Formula: C30H38O7

Molecular Weight: 510.61966

Exact Mass: 510.261754

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Tettamanzi, M.C., Veleiro, A.S., de la Fuente, J.R., Burton, G. J Nat Prod (2001) 64, 783-6

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) 202.1
2 (CH) 128.9
3 (CH) 142.4
4 (CH2) 33.6
5 (C) 64.7
6 (CH) 59
7 (CH2) 30.6
8 (CH) 33.2
9 (CH) 36.4
10 (C) 48.8
11 (CH2) 25.4
12 (CH2) 30.3
13 (C) 137.9
14 (C) 137.1
15 (CH) 125.7
16 (CH) 126.4
17 (C) 139.8
18 (CH) 128.7
19 (CH3) 14.9
20 (CH) 43.1
21 (CH3) 16.7
22 (CH) 76.1
23 (CH2) 39.2
24 (C) 74
25 (C) 75.6
26 (CH) 94.9
27 (CH3) 16
28 (CH3) 22.6
26a (C) 170
26b (CH3) 21