Coagulin F

Coagulin F

Common Name: Coagulin F

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H36O5/c1-16-14-23(32-24(31)18(16)15-29)27(4)21-11-13-28(33-27)20-9-8-17-6-5-7-22(30)26(17,3)19(20)10-12-25(21,28)2/h5-6,8,19-21,23,29H,7,9-15H2,1-4H3/t19-,20+,21+,23+,25+,26-,27-,28+/m0/s1

InChIKey: InChIKey=XLKFUJPNXPVFRF-LHDXNQTOSA-N

Formula: C28H36O5

Molecular Weight: 452.583497

Exact Mass: 452.256274

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Atta-ur-Rahman, A., Choudhary, M.I., Qureshi, S., Gul, W., Yousaf, M. J Nat Prod (1998) 61, 812-4

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) 210.1
2 (CH2) 39.4
3 (CH) 127.4
4 (CH) 128.7
5 (C) 140.4
6 (CH) 121.6
7 (CH2) 31.5
8 (CH) 33.6
9 (CH) 33.2
10 (C) 48.8
11 (CH2) 21.9
12 (CH2) 25.2
13 (C) 47.1
14 (C) 82.4
15 (CH2) 29.7
16 (CH2) 30.2
17 (CH) 48.9
18 (CH3) 19.7
19 (CH3) 16.3
20 (C) 74.7
21 (CH3) 19.8
22 (CH) 81.3
23 (CH2) 31.8
24 (C) 154
25 (C) 125.5
26 (C) 165
27 (CH2) 54.5
28 (CH3) 20.7