8,11,13-Cleistanthantrien-7-one- 19-oic acid

8,11,13-Cleistanthantrien-7-one- 19-oic acid

Common Name: 8,11,13-Cleistanthantrien-7-one- 19-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H30O2/c1-6-15-14(2)8-10-17-16(15)9-11-18-20(17,3)12-7-13-21(18,4)19(22)23-5/h8,10,18H,6-7,9,11-13H2,1-5H3/t18-,20-,21+/m1/s1

InChIKey: InChIKey=QONVEKSDPKUEGX-NRSPTQNISA-N

Formula: C21H30O2

Molecular Weight: 314.462486

Exact Mass: 314.22458

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Pinto, A.C., Antunes, O.A.C., Rezende, C.M., Correia, C.R.D. Phytochemistry (1995) 38, 1269-71

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cleistanthanes; 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) 39.8
2 (CH2) 21.1
3 (CH2) 37.5
4 (C) 43.9
5 (CH) 52.3
6 (CH2) 20.1
7 (CH2) 29
8 (C) 133.1
9 (C) 146.2
10 (C) 38.5
11 (CH) 123.2
12 (CH) 127.9
13 (C) 132.8
14 (C) 140.2
15 (CH2) 22.2
16 (CH3) 13
17 (CH3) 19.3
18 (CH3) 28.5
19 (C) 177.9
20 (CH3) 22.9
19a (CH3) 51.2