25-hydroxy-13(24),17-cheilanthadien-16,19-olide

25-hydroxy-13(24),17-cheilanthadien-16,19-olide

Common Name: 25-hydroxy-13(24),17-cheilanthadien-16,19-olide

Synonyms: 25-hydroxy-13(24),17-cheilanthadien-16,19-olide

CAS Registry Number:

InChI: InChI=1S/C25H38O3/c1-16-7-8-21-24(4,18(16)14-19-17(15-26)13-22(27)28-19)12-9-20-23(2,3)10-6-11-25(20,21)5/h13,18-21,26H,1,6-12,14-15H2,2-5H3/t18-,19?,20+,21+,24+,25+/m1/s1

InChIKey: InChIKey=IDZSBARYKPRHAX-TWTOBAAQSA-N

Formula: C25H38O3

Molecular Weight: 386.568361

Exact Mass: 386.282095

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Buchanan, M.S., Edser, A., King, G., Whitmore, J., Quinn, R.J. J Nat Prod (2001) 64, 300-3

Species:

Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Cheilanthanes; 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 (CH2) 40.1
2 (CH2) 18.7
3 (CH2) 42
4 (C) 33.4
5 (CH) 56.5
6 (CH2) 19.1
7 (CH2) 41
8 (C) 40.3
9 (CH) 60.3
10 (C) 37.9
11 (CH2) 23.2
12 (CH2) 38.1
13 (C) 148
14 (CH) 52.4
15 (CH2) 27.7
16 (CH) 82.1
17 (C) 172.3
18 (CH) 115.5
19 (C) 172.3
20 (CH3) 33.5
21 (CH3) 21.5
22 (CH3) 15.2
23 (CH3) 16.3
24 (CH2) 107.1
25 (CH2) 59.3