1,13-Valparadien-3α-ol

1,13-Valparadien-3α-ol

Common Name: 1,13-Valparadien-3α-ol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32O/c1-14(2)15-6-11-20(5)16(15)7-9-18(3)12-13-19(4,21)10-8-17(18)20/h6,12-14,16-17,21H,7-11H2,1-5H3/t16-,17-,18-,19+,20-/m1/s1

InChIKey: InChIKey=FJUSITCCFBELBF-LTFPLMDUSA-N

Formula: C20H32O1

Molecular Weight: 288.468227

Exact Mass: 288.245316

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. Phytochemistry (1993) 34, 747-50

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 (CH) 133.2
2 (CH) 139.4
3 (C) 74.1
4 (CH2) 44.3
5 (CH2) 27.1
6 (CH) 54.4
7 (C) 45.9
8 (CH) 51.6
9 (CH2) 23.7
10 (CH2) 43.6
11 (C) 39.7
12 (CH2) 42.8
13 (CH) 118.3
14 (C) 148.6
15 (CH) 34.9
16 (CH3) 23
17 (CH3) 22
18 (CH3) 18.9
19 (CH3) 29.2
20 (CH3) 21.5