(5R)-2,3-Anhydro-4-deoxy-5-[(5β,6β,15α,20R)-14,17-dihydroxy-1-oxo-5,6-epoxy-15,21-cyclopregn-2-en-20-yl]-2,3-dimethyl-α-L-erythro-pentopyranose

(5R)-2,3-Anhydro-4-deoxy-5-[(5β,6β,15α,20R)-14,17-dihydroxy-1-oxo-5,6-epoxy-15,21-cyclopregn-2-en-20-yl]-2,3-dimethyl-α-L-erythro-pentopyranose

Common Name: (5R)-2,3-Anhydro-4-deoxy-5-[(5β,6β,15α,20R)-14,17-dihydroxy-1-oxo-5,6-epoxy-15,21-cyclopregn-2-en-20-yl]-2,3-dimethyl-α-L-erythro-pentopyranose

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H38O7/c1-22-9-7-15-16(11-20-27(34-20)8-5-6-19(29)24(15,27)3)28(22,32)14-10-17(26(22,31)12-14)18-13-23(2)25(4,35-23)21(30)33-18/h5-6,14-18,20-21,30-32H,7-13H2,1-4H3/t14-,15-,16+,17+,18+,20+,21+,22+,23-,24-,25+,26+,27+,28+/m0/s1

InChIKey: InChIKey=XDYBKJKGWNALFI-XKUOTXMNSA-N

Formula: C28H38O7

Molecular Weight: 486.598188

Exact Mass: 486.261754

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Nicotra, V.E., Gil, R.R., Vaccarini, C., Oberti, J.C., Burton, G. J Nat Prod (2003) 66, 1471-5

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) 203.8
2 (CH) 129.1
3 (CH) 144.9
4 (CH2) 32.9
5 (C) 61.5
6 (CH) 64.2
7 (CH2) 26.7
8 (CH) 41.2
9 (CH) 43.2
10 (C) 48.7
11 (CH2) 24.5
12 (CH2) 31.2
13 (C) 46.4
14 (C) 80.8
15 (CH) 42.4
16 (CH2) 36.6
17 (C) 87.3
18 (CH3) 20.4
19 (CH3) 14.9
20 (CH) 41
21 (CH2) 24.8
22 (CH) 68.1
23 (CH2) 34.7
24 (C) 63.4
25 (C) 63.3
26 (CH) 91.5
27 (CH3) 16.6
28 (CH3) 18.5