Methyl ent-18-hydroxytrachyloban-19-oate

Methyl ent-18-hydroxytrachyloban-19-oate

Common Name: Methyl ent-18-hydroxytrachyloban-19-oate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H32O3/c1-18-6-4-7-21(12-22,17(23)24-3)15(18)5-8-20-10-14-13(9-16(18)20)19(14,2)11-20/h13-16,22H,4-12H2,1-3H3/t13-,14-,15+,16+,18-,19+,20+,21+/m1/s1

InChIKey: InChIKey=IZOHNEIPDGSJPN-YOBHSKELSA-N

Formula: C21H32O3

Molecular Weight: 332.477773

Exact Mass: 332.235145

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Leong, Y.W., Harrison, L.J. Phytochemistry (1997) 45, 1457-9

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Trachylobanes; 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
2 (CH2) 18.2
3 (CH2) 32.2
4 (C) 49.8
5 (CH) 51.6
6 (CH2) 21.7
7 (CH2) 38.9
8 (C) 40.5
9 (CH) 52.7
10 (C) 38.4
11 (CH2) 19.8
12 (CH) 20.5
13 (CH) 24.2
14 (CH2) 33.1
15 (CH2) 50.3
16 (C) 22.4
17 (CH3) 20.5
18 (CH2) 71.3
19 (C) 176.1
20 (CH3) 12.6
19a (CH3) 51.4