8,11,13-Cleistanthatrien-7-one-17-oie acid methyl ester

8,11,13-Cleistanthatrien-7-one-17-oie acid methyl ester

Common Name: 8,11,13-Cleistanthatrien-7-one-17-oie acid methyl ester

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H28O3/c1-6-13-14(19(23)24-5)8-9-15-18(13)16(22)12-17-20(2,3)10-7-11-21(15,17)4/h8-9,17H,6-7,10-12H2,1-5H3/t17-,21+/m0/s1

InChIKey: InChIKey=OICRQNMBSDMSOT-LAUBAEHRSA-N

Formula: C21H28O3

Molecular Weight: 328.44601

Exact Mass: 328.203845

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) 38.6
2 (CH2) 18.8
3 (CH2) 41.4
4 (C) 32.2
5 (CH) 47.4
6 (CH2) 38.5
7 (C) 201.4
8 (C) 132.2
9 (C) 159.5
10 (C) 38.4
11 (CH) 120.7
12 (CH) 133.4
13 (C) 130.7
14 (C) 146.3
15 (CH2) 22.8
16 (CH3) 16.4
17 (C) 168.6
18 (CH3) 21.3
19 (CH3) 33.4
20 (CH3) 23.7
17a (CH3) 52.1