(8alpha,13xi)-5,9-Dimethyl-17,18-dinorlabd-3-en-15-oic acid

(8alpha,13xi)-5,9-Dimethyl-17,18-dinorlabd-3-en-15-oic acid

Common Name: (8alpha,13xi)-5,9-Dimethyl-17,18-dinorlabd-3-en-15-oic acid

Synonyms: (8alpha,13xi)-5,9-Dimethyl-17,18-dinorlabd-3-en-15-oic acid

CAS Registry Number:

InChI: InChI=1S/C20H34O2/c1-14(13-18(21)22)9-11-19(4)16(3)10-12-20(5)15(2)7-6-8-17(19)20/h7,14,16-17H,6,8-13H2,1-5H3,(H,21,22)/t14?,16-,17-,19+,20+/m1/s1

InChIKey: InChIKey=OLMDNYBRDSKWMV-NHMVUFSISA-N

Formula: C20H34O2

Molecular Weight: 306.483513

Exact Mass: 306.25588

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - He, H.P., Shen, Y.M., Zuo, G.Y., Yang, X.S., Hao, X.J. Helv Chim Acta (2003) 86, 3187-93

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) 24.9
2 (CH2) 33.1
3 (CH) 120.4
4 (C) 144.4
5 (C) 38.2
6 (CH2) 37.2
7 (CH2) 26.9
8 (CH) 36.4
9 (C) 38.5
10 (CH) 46.6
11 (CH2) 35.2
12 (CH2) 29.6
13 (CH) 30.8
14 (CH2) 41.5
15 (C) 179.5
16 (CH3) 19.8
17 (CH3) 15.9
18 (CH3) 18.4
19 (CH3) 20.9
20 (CH3) 18.2