Methyl Ent-3β-Hydroxylabd-8(17)-en-15-oate

Methyl Ent-3β-Hydroxylabd-8(17)-en-15-oate

Common Name: Methyl Ent-3β-Hydroxylabd-8(17)-en-15-oate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H36O3/c1-14(13-19(23)24-6)7-9-16-15(2)8-10-17-20(3,4)18(22)11-12-21(16,17)5/h14,16-18,22H,2,7-13H2,1,3-6H3/t14?,16-,17-,18+,21+/m1/s1

InChIKey: InChIKey=XFGHNQOXQSKETC-NHMIYTAFSA-N

Formula: C21H36O3

Molecular Weight: 336.509536

Exact Mass: 336.266445

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Branco, A., Pinto, A.C., Filho, R.B. Annals of the Brazilian Academy of Sciences (2004) 76, 505-18

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) 37.4
2 (CH2) 28.3
3 (CH) 79.2
4 (C) 39.1
5 (CH) 54.9
6 (CH2) 24.3
7 (CH2) 38.5
8 (C) 148.1
9 (CH) 57
10 (C) 39.4
11 (CH2) 21.3
12 (CH2) 36
13 (CH) 31.2
14 (CH2) 42.2
15 (C) 173.7
16 (CH3) 19.8
17 (CH2) 107
18 (CH3) 28.6
19 (CH3) 15.7
20 (CH3) 14.8
15a (CH3) 51.7