19-[(β-D-Glucopyranosyl)oxy]-19-oxo-ent-labda-8(17),13-dien-16,15-olide

19-[(β-D-Glucopyranosyl)oxy]-19-oxo-ent-labda-8(17),13-dien-16,15-olide

Common Name: 19-[(β-D-Glucopyranosyl)oxy]-19-oxo-ent-labda-8(17),13-dien-16,15-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O5/c1-13-3-6-16-19(2,9-7-17(23)20(16,11-21)12-22)15(13)5-4-14-8-10-25-18(14)24/h8,15-17,21-23H,1,3-7,9-12H2,2H3/t15-,16-,17-,19+/m1/s1

InChIKey: InChIKey=RQPNDCVTRUVOKO-MTNOOBJLSA-N

Formula: C20H30O5

Molecular Weight: 350.449965

Exact Mass: 350.209324

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Chen, L.X., Qiu, F., Wei, H., Qu, G.X., Yao, X.S. Helv Chim Acta (2006) 89, 2654-64

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) 37.3
2 (CH2) 28.9
3 (CH) 73.9
4 (C) 47.2
5 (CH) 47.5
6 (CH2) 24.8
7 (CH2) 38.7
8 (C) 148.3
9 (CH) 56.7
10 (C) 39.4
11 (CH2) 22.4
12 (CH2) 25
13 (C) 134.2
14 (CH) 145.4
15 (CH2) 70.6
16 (C) 174.6
17 (CH2) 107
18 (CH2) 62.8
19 (CH2) 63.1
20 (CH3) 15.3