8(17),12(E)-Labdadien-11,15,16-triol

8(17),12(E)-Labdadien-11,15,16-triol

Common Name: 8(17),12(E)-Labdadien-11,15,16-triol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H34O3/c1-14-6-7-17-19(2,3)9-5-10-20(17,4)18(14)16(23)12-15(13-22)8-11-21/h12,16-18,21-23H,1,5-11,13H2,2-4H3/b15-12+/t16-,17-,18+,20-/m0/s1

InChIKey: InChIKey=ZJRJKCCRIRYFON-BJRBBPMLSA-N

Formula: C20H34O3

Molecular Weight: 322.482918

Exact Mass: 322.250795

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Zhou, B.N., Baj, N.J., Glass, T.E., Malone, S., Werkhoven, M.C., van Troon, F., David, Wisse, J.H., Kingston, D.G. J Nat Prod (1997) 60, 1287-93

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) 40.02
2 (CH2) 19.26
3 (CH2) 42.03
4 (C) 33.58
5 (CH) 55.53
6 (CH2) 24.49
7 (CH2) 38.78
8 (C) 146.65
9 (CH) 61.3
10 (C) 40.35
11 (CH) 65.13
12 (CH) 132.67
13 (C) 137.66
14 (CH2) 31.48
15 (CH2) 60.48
16 (CH2) 67.23
17 (CH2) 109.82
18 (CH3) 33.8
19 (CH3) 21.81
20 (CH3) 16.58