Methyl-2b-hydroxy-9-epi-ent-labda-8(17),13(E)-dien-15-oate

Methyl-2b-hydroxy-9-epi-ent-labda-8(17),13(E)-dien-15-oate

Common Name: Methyl-2b-hydroxy-9-epi-ent-labda-8(17),13(E)-dien-15-oate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H34O3/c1-14(11-19(23)24-6)7-9-17-15(2)8-10-18-20(3,4)12-16(22)13-21(17,18)5/h11,16-18,22H,2,7-10,12-13H2,1,3-6H3/b14-11+/t16-,17+,18-,21+/m1/s1

InChIKey: InChIKey=AEXAUMWSDWUKOT-PHOXSQNRSA-N

Formula: C21H34O3

Molecular Weight: 334.493654

Exact Mass: 334.250795

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Garbarino, J.A., Chamy, M.C., Piovano, M., Espinoza, L., Belmonte, E. Phytochemistry (2004) 65, 903-8

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) 48.1
2 (CH) 65.5
3 (CH2) 51
4 (C) 35
5 (CH) 54.8
6 (CH2) 23.9
7 (CH2) 37.9
8 (C) 147.3
9 (CH) 56
10 (C) 41
11 (CH2) 21.7
12 (CH2) 39.7
13 (C) 160.8
14 (CH) 115
15 (C) 167.6
16 (CH3) 18.9
17 (CH2) 107.2
18 (CH3) 33.6
19 (CH3) 22.6
20 (CH3) 15.3
15a (CH3) 51.2