ZINC43769425

ZINC43769425

Common Name: ZINC43769425

Synonyms: ZINC43769425

CAS Registry Number:

InChI: InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,13,15-16H,1,6-12H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20+/m1/s1

InChIKey: InChIKey=MHVJRKBZMUDEEV-PPLKHSGQSA-N

Formula: C20H30O2

Molecular Weight: 302.45175

Exact Mass: 302.22458

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Liu, X.T., Shi, Y., Yu, B., Williams, I.D., Sung, H.H., Zhang, Q., Liang, J.Y., Ip, N.Y., Min, Z.D. Planta Med (2007) 73, 84-90

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isopimaranes; 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) 18.2
3 (CH2) 37.1
4 (C) 47.3
5 (CH) 48.9
6 (CH2) 24.9
7 (CH2) 35.5
8 (C) 136.6
9 (CH) 50.6
10 (C) 37.8
11 (CH2) 18.6
12 (CH2) 34.5
13 (C) 37.4
14 (CH) 129.2
15 (CH) 148.9
16 (CH2) 110.2
17 (CH3) 26.1
18 (CH3) 16.8
19 (C) 185.2
20 (CH3) 15.2