(11E,13alpha)-3beta,15,19-Trihydroxylabda-8(20),11-dien-16-oic acid 16,15-lactone

(11E,13alpha)-3beta,15,19-Trihydroxylabda-8(20),11-dien-16-oic acid 16,15-lactone

Common Name: (11E,13alpha)-3beta,15,19-Trihydroxylabda-8(20),11-dien-16-oic acid 16,15-lactone

Synonyms: (11E,13alpha)-3beta,15,19-Trihydroxylabda-8(20),11-dien-16-oic acid 16,15-lactone

CAS Registry Number:

InChI: InChI=1S/C20H30O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h5-6,14-17,21-22H,1,4,7-12H2,2-3H3/b6-5+/t14-,15-,16+,17-,19+,20+/m0/s1

InChIKey: InChIKey=OIUNBCUWBQRQCS-PYSHZAFHSA-N

Formula: C20H30O4

Molecular Weight: 334.45056

Exact Mass: 334.214409

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Chen, C.C., Shiao, Y.J., Lin, R.D., Shao, Y.Y., Lai, M.N., Lin, C.C., Ng, L.T., Kuo, Y.H. J Nat Prod (2006) 69, 689-91

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) 38.3
2 (CH2) 23.3
3 (CH) 80.8
4 (C) 43.2
5 (CH) 54.8
6 (CH2) 28.5
7 (CH2) 36.8
8 (C) 148
9 (CH) 60.5
10 (C) 38.5
11 (CH) 131.9
12 (CH) 127
13 (CH) 42.9
14 (CH2) 29.7
15 (CH2) 66.6
16 (C) 176.6
17 (CH2) 108.2
18 (CH3) 23
19 (CH2) 64.2
20 (CH3) 16.2