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)
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 |