Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H40O7/c1-15-14-22(36-26(33)16(15)2)29(6,34)20-10-9-18-23-19(11-13-27(18,20)4)28(5)21(32)8-7-12-30(28)25(24(23)37-30)35-17(3)31/h7-8,18-20,22-25,34H,9-14H2,1-6H3/t18-,19-,20-,22+,23-,24-,25-,27-,28-,29+,30-/m0/s1

InChIKey: InChIKey=PKRWZYBDBHBUAD-XQAIEDLVSA-N

Formula: C30H40O7

Molecular Weight: 512.635542

Exact Mass: 512.277404

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Misra, L., Mishra, P., Pandey, A., Sangwan, R.S., Sangwan, N.S., Tuli, R. Phytochemistry (2008) 69, 1000-4

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) 128.7
3 (CH) 139.4
4 (CH2) 40.6
5 (C) 75.1
6 (CH) 77.4
7 (CH) 62.5
8 (CH) 42.6
9 (CH) 42.7
10 (C) 51.5
11 (CH2) 22.4
12 (CH2) 35.4
13 (C) 45
14 (CH) 56.7
15 (CH2) 24.5
16 (CH2) 26.8
17 (CH) 54
18 (CH3) 12.3
19 (CH3) 20.4
20 (C) 78.3
21 (CH3) 14.8
22 (CH) 80.9
23 (CH2) 31.6
24 (C) 148.7
25 (C) 122
26 (C) 167
27 (CH3) 14.3
28 (CH3) 20.6
6a (C) 170.1
6b (CH3) 20.9