Valparolone

Valparolone

Common Name: Valparolone

Synonyms: Valparolone

CAS Registry Number:

InChI: InChI=1S/C20H30O/c1-13(2)16-7-11-20(5)17(16)8-10-19(4)9-6-15(14(3)21)12-18(19)20/h6,16-18H,1,7-12H2,2-5H3/t16-,17+,18+,19-,20+/m0/s1

InChIKey: InChIKey=IVVXVEMTIACKAX-MFKWGIFDSA-N

Formula: C20H30O1

Molecular Weight: 286.452345

Exact Mass: 286.229666

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Urones, J.G., Marcos, I.S., Basabe, P., Alonso, C., Oliva, I.M., Garrido, N.M., Martin, D.D., Lithgow, A.M. Tetrahedron (1993) 34, 4051-62

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Valparanes; 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) 43.5
2 (CH) 139.2
3 (C) 199.2
4 (C) 139.3
5 (CH2) 23
6 (CH) 51.9
7 (C) 44.5
8 (CH) 55.7
9 (CH2) 21.8
10 (CH2) 46.8
11 (C) 32.9
12 (CH2) 41.2
13 (CH2) 27.7
14 (CH) 46.3
15 (C) 148.4
16 (CH2) 110.4
17 (CH3) 25
18 (CH3) 15.5
19 (CH3) 25.2
20 (CH3) 21