Methyl 17-hydroxy-16-oxobeyeran-18-oate

Methyl 17-hydroxy-16-oxobeyeran-18-oate

Common Name: Methyl 17-hydroxy-16-oxobeyeran-18-oate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H32O4/c1-18-7-4-8-19(2,17(24)25-3)14(18)5-9-20-11-16(23)21(12-20,13-22)10-6-15(18)20/h14-15,22H,4-13H2,1-3H3/t14-,15-,18+,19-,20-,21-/m1/s1

InChIKey: InChIKey=UMCBUOSDDKCPMZ-YKAMNDFBSA-N

Formula: C21H32O4

Molecular Weight: 348.477178

Exact Mass: 348.23006

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Anjaneyulu A.S., Rao V.L. Ceriopsins A-D, Phytochemistry (2002) 60, 777-82

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Beyeranes; 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) 39.7
2 (CH2) 19.7
3 (CH2) 37.8
4 (C) 43.7
5 (CH) 56.9
6 (CH2) 21.6
7 (CH2) 41.3
8 (C) 39.6
9 (CH) 55.3
10 (C) 37.9
11 (CH2) 18.8
12 (CH2) 32
13 (C) 54
14 (CH2) 48.9
15 (CH2) 48.8
16 (C) 223.1
17 (CH2) 65
18 (C) 177.7
19 (CH3) 28.7
20 (CH3) 13.1
18a (CH3) 51.2