Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H38O8/c1-15-16(14-29)12-20(35-22(15)31)25(4,32)28(34)11-10-26(33)18-13-21-27(36-21)8-5-6-19(30)24(27,3)17(18)7-9-23(26,28)2/h5-6,17-18,20-21,29,32-34H,7-14H2,1-4H3/t17-,18+,20+,21+,23-,24-,25-,26+,27+,28-/m0/s1

InChIKey: InChIKey=SGTFNLMVIRZWTA-LFCBYZEKSA-N

Formula: C28H38O8

Molecular Weight: 502.597593

Exact Mass: 502.256668

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Dinan, L.N., Sarker, S.D., Sik, V. Phytochemistry (1997) 44, 509-12

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
2 (CH) 129.8
3 (CH) 143.7
4 (CH2) 32.9
5 (C) 61.8
6 (CH) 64.1
7 (CH2) 26.2
8 (CH) 34.2
9 (CH) 36.9
10 (C) 48.6
11 (CH2) 22.9
12 (CH2) 30
13 (C) 54.6
14 (C) 82.2
15 (CH2) 32.5
16 (CH2) 37.7
17 (C) 87.8
18 (CH3) 20.5
19 (CH3) 14.6
20 (C) 79.2
21 (CH3) 20
22 (CH) 80.7
23 (CH2) 28.7
24 (C) 151.7
25 (C) 121.8
26 (C) 165.8
27 (CH3) 11.9
28 (CH2) 62.1