(5R)-2,3-Anhydro-4-deoxy-5-[(5β,6β,15α,20R)-17-hydroxy-1-oxo-5,6-epoxy-15,21-cyclopregna-2,8(14)-dien-20-yl]-2,3-dimethyl-α-L-erythro-pentopyranose

(5R)-2,3-Anhydro-4-deoxy-5-[(5β,6β,15α,20R)-17-hydroxy-1-oxo-5,6-epoxy-15,21-cyclopregna-2,8(14)-dien-20-yl]-2,3-dimethyl-α-L-erythro-pentopyranose

Common Name: (5R)-2,3-Anhydro-4-deoxy-5-[(5β,6β,15α,20R)-17-hydroxy-1-oxo-5,6-epoxy-15,21-cyclopregna-2,8(14)-dien-20-yl]-2,3-dimethyl-α-L-erythro-pentopyranose

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H36O6/c1-23-9-7-16-15(11-20-28(33-20)8-5-6-19(29)25(16,28)3)21(23)14-10-17(27(23,31)12-14)18-13-24(2)26(4,34-24)22(30)32-18/h5-6,14,16-18,20,22,30-31H,7-13H2,1-4H3/t14-,16-,17+,18+,20+,22+,23-,24-,25-,26+,27+,28+/m0/s1

InChIKey: InChIKey=PUTXXKMZSOGRTC-JPCSXPMHSA-N

Formula: C28H36O6

Molecular Weight: 468.582902

Exact Mass: 468.251189

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) 202.5
2 (CH) 129.8
3 (CH) 143.9
4 (CH2) 32.6
5 (C) 62.2
6 (CH) 63.3
7 (CH2) 29.6
8 (C) 120.3
9 (CH) 41
10 (C) 45.8
11 (CH2) 21
12 (CH2) 28
13 (C) 50.8
14 (C) 148.4
15 (CH) 35.6
16 (CH2) 38.3
17 (C) 87.5
18 (CH3) 21.3
19 (CH3) 14.5
20 (CH) 39
21 (CH2) 35.2
22 (CH) 67.3
23 (CH2) 34.5
24 (C) 63.4
25 (C) 63.9
26 (CH) 91.5
27 (CH3) 16.4
28 (CH3) 18.6