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)
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 |