16,16-Dihydroxylabda-8(20),13-dien-15-oic acid 15,16-lactone

16,16-Dihydroxylabda-8(20),13-dien-15-oic acid 15,16-lactone

Common Name: 16,16-Dihydroxylabda-8(20),13-dien-15-oic acid 15,16-lactone

Synonyms: 16,16-Dihydroxylabda-8(20),13-dien-15-oic acid 15,16-lactone

CAS Registry Number:

InChI: InChI=1S/C20H30O3/c1-13-6-9-16-19(2,3)10-5-11-20(16,4)15(13)8-7-14-12-17(21)23-18(14)22/h12,15-16,18,22H,1,5-11H2,2-4H3/t15-,16-,18?,20+/m0/s1

InChIKey: InChIKey=RIEXSTWCSGUYGI-VVSNFRCFSA-N

Formula: C20H30O3

Molecular Weight: 318.451155

Exact Mass: 318.219495

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Basabe, P., Bodero, O., Marcos, I.S., Diez, D., Roman, M.d., Bianco, A., Urones, J.G. Tetrahedron (2007) 63, 11838-43

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) 38.2
2 (CH2) 19.3
3 (CH2) 42
4 (C) 33.5
5 (CH) 55.5
6 (CH2) 20.8
7 (CH2) 39.1
8 (C) 147.9
9 (CH) 56.2
10 (C) 39.8
11 (CH2) 24.7
12 (CH2) 26.7
13 (C) 169.9
14 (CH) 117.2
15 (C) 170.9
16 (CH) 98.2
17 (CH2) 106.4
18 (CH3) 33.5
19 (CH3) 21.6
20 (CH3) 14.4