Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C29H40O5/c1-6-17-15(2)14-21(33-26(17)31)16(3)18-9-10-19-23-20(11-13-27(18,19)4)28(5)22(30)8-7-12-29(28,32)25-24(23)34-25/h7-8,16,18-21,23-25,32H,6,9-14H2,1-5H3/t16-,18+,19-,20-,21+,23-,24-,25-,27+,28-,29-/m0/s1

InChIKey: InChIKey=ZUHPRVWSGWTCGY-BNKKRHMTSA-N

Formula: C29H40O5

Molecular Weight: 468.625996

Exact Mass: 468.287574

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Vankar, P.S., Srivastava, J., Molcanov, K., Kojic-Prodic, B. Phytochemistry Lett (2009) 2, 67-71

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) 203.5
2 (CH) 128.7
3 (CH) 145.3
4 (CH2) 31.2
5 (C) 72.4
6 (CH) 67.6
7 (CH) 50.4
8 (CH) 26.8
9 (CH) 25.5
10 (C) 56.4
11 (CH2) 23
12 (CH2) 33
13 (C) 42.3
14 (CH) 46
15 (CH2) 23.4
16 (CH2) 20.6
17 (CH) 42
18 (CH3) 20
19 (CH3) 9.3
20 (CH) 31.5
21 (CH3) 12.6
22 (CH) 78.3
23 (CH2) 38
24 (C) 148.8
25 (C) 126.3
26 (C) 171
27 (CH2) 19.1
28 (CH3) 16.3
29 (CH3) 11.5