ent-14-Labden-8 ,13r-diol 19-O-β-D-glucopyranoside

ent-14-Labden-8 ,13r-diol 19-O-β-D-glucopyranoside

Common Name: ent-14-Labden-8 ,13r-diol 19-O-β-D-glucopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H46O8/c1-6-24(3,31)12-8-18-25(4)11-7-10-23(2,17(25)9-13-26(18,5)32)15-33-22-21(30)20(29)19(28)16(14-27)34-22/h6,16-22,27-32H,1,7-15H2,2-5H3/t16-,17-,18+,19-,20+,21-,22-,23+,24+,25-,26-/m1/s1

InChIKey: InChIKey=UQDKNPWCHZPYHQ-BBKWKEEDSA-N

Formula: C26H46O8

Molecular Weight: 486.639647

Exact Mass: 486.319268

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Socolsky, C., Asakawa, Y., Bardon, A. J Nat Prod (2007) 70, 1837-45

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) 40.7
2 (CH2) 19
3 (CH2) 37.4
4 (C) 39
5 (CH) 58.3
6 (CH2) 19.7
7 (CH2) 43.5
8 (C) 73.9
9 (CH) 61
10 (C) 40.3
11 (CH2) 20.8
12 (CH2) 47.6
13 (C) 74.3
14 (CH) 146.2
15 (CH2) 112.2
16 (CH3) 27.3
17 (CH3) 30.9
18 (CH3) 28.2
19 (CH2) 73.9
20 (CH3) 16.4
1' (CH) 105.1
2' (CH) 75.3
3' (CH) 78.2
4' (CH) 71.7
5' (CH) 77.7
6' (CH2) 62.7