Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C34H46O10/c1-18-14-28(44-31(39)23(18)16-41-19(2)35)24(17-42-20(3)36)26-10-9-25-22-15-30(43-21(4)37)34(40)12-7-8-29(38)33(34,6)27(22)11-13-32(25,26)5/h7-8,22,24-28,30,40H,9-17H2,1-6H3/t22-,24-,25-,26+,27-,28+,30+,32-,33-,34-/m0/s1

InChIKey: InChIKey=VSPNWXLBDOTYAL-ZHTDHYLMSA-N

Formula: C34H46O10

Molecular Weight: 614.724344

Exact Mass: 614.309098

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Manickam, M., Srivastava, A., Ray, A.B. Phytochemistry (1998) 47, 1427-9

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) 203.7
2 (CH) 128.9
3 (CH) 140.3
4 (CH2) 35.4
5 (C) 76.3
6 (CH) 75.3
7 (CH2) 32.5
8 (CH) 30.7
9 (CH) 41.1
10 (C) 51.8
11 (CH2) 23.2
12 (CH2) 38.7
13 (C) 42.8
14 (CH) 55.2
15 (CH2) 24.1
16 (CH2) 27.3
17 (CH) 46.5
18 (CH3) 12.5
19 (CH3) 15.2
20 (CH) 42.6
21 (CH2) 58
22 (CH) 76.9
23 (CH2) 30.1
24 (C) 157.6
25 (C) 121.8
26 (C) 164.9
27 (CH2) 61.6
28 (CH3) 20.6
6a (C) 170.9
6b (CH3) 21.4
21a (C) 170.7
21b (CH3) 21.1
27a (C) 170
27b (CH3) 20.9