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

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

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H46O8/c1-6-24(3,34-22-21(31)20(30)19(29)16(14-27)33-22)12-8-18-25(4)11-7-10-23(2,15-28)17(25)9-13-26(18,5)32/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=VHDWDVBOCYKGBG-MZXJHRQFSA-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) 41.3
2 (CH2) 20.4
3 (CH2) 36.8
4 (C) 39.7
5 (CH) 58.2
6 (CH2) 19.1
7 (CH2) 44.8
8 (C) 75.1
9 (CH) 63.2
10 (C) 40.4
11 (CH2) 21.6
12 (CH2) 45.2
13 (C) 81.8
14 (CH) 145.2
15 (CH2) 115.2
16 (CH3) 23.1
17 (CH3) 23.9
18 (CH3) 27.7
19 (CH2) 65.1
20 (CH3) 16.6
1' (CH) 99.4
2' (CH) 75.2
3' (CH) 78.3
4' (CH) 71.7
5' (CH) 77.6
6' (CH2) 62.8