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

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

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

Synonyms:

CAS Registry Number:

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

InChIKey: InChIKey=FCBFPZFFVNKVFG-XWGHPRLRSA-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) 204.3
2 (CH) 128.7
3 (CH) 141.9
4 (CH2) 35.7
5 (C) 77.3
6 (CH) 75
7 (CH2) 32.7
8 (C) 122.5
9 (CH) 38.2
10 (C) 45.3
11 (CH2) 20.8
12 (CH2) 27.5
13 (C) 54.1
14 (C) 148.8
15 (CH) 35.4
16 (CH2) 37.9
17 (C) 87.4
18 (CH3) 20.9
19 (CH3) 16.1
20 (CH) 38.8
21 (CH2) 36.2
22 (CH) 67.5
23 (CH2) 34.6
24 (C) 63.3
25 (C) 63.1
26 (CH) 91.4
27 (CH3) 16.4
28 (CH3) 18.4