Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H30O9/c1-23-11-18-25(3)28-19(23)20(30)27(37-28,34-12-16(23)21(31)35-18)15-8-7-13-5-4-6-17(29)24(13,2)14(15)9-10-26(28,33)22(32)36-25/h4-5,7,14-16,18-19,33H,6,8-12H2,1-3H3/t14?,15-,16+,18-,19?,23-,24+,25+,26-,27?,28+/m1/s1

InChIKey: InChIKey=HRUAQJXBUYEBPK-OEAAOHMPSA-N

Formula: C28H30O9

Molecular Weight: 510.533472

Exact Mass: 510.188983

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Sunayama, R., Kuroyanagi, M., Umehara, K., Ueno, A. Phytochemistry (1993) 34, 529-33

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) 208.2
2 (CH2) 39.6
3 (CH) 121.3
4 (CH) 126.6
5 (C) 139.7
6 (CH) 128.9
7 (CH2) 25.9
8 (CH) 39.2
9 (CH) 33.1
10 (C) 56.5
11 (CH2) 24.7
12 (CH2) 26.6
13 (C) 79.8
14 (C) 107.7
15 (C) 214.1
16 (CH) 55.1
17 (C) 80.4
18 (C) 172.2
19 (CH3) 25.4
20 (C) 81.1
21 (CH3) 21.5
22 (CH) 77
23 (CH2) 32.1
24 (C) 31.2
25 (CH) 51
26 (C) 166.7
27 (CH2) 60.8
28 (CH3) 19.3