Common Name: 1,15-Valparadien-3β-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/h12-13,15-17,21H,1,6-11H2,2-5H3/t15-,16+,17+,18+,19+,20+/m0/s1
InChIKey: InChIKey=RKCZDGJPJJXXLC-RFVXBFLTSA-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. 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)
Position | PPM |
---|---|
1 (CH) | 130.9 |
2 (CH) | 138.2 |
3 (C) | 71 |
4 (CH2) | 38.8 |
5 (CH2) | 23.3 |
6 (CH) | 56.8 |
7 (C) | 46.6 |
8 (CH) | 51 |
9 (CH2) | 21.9 |
10 (CH2) | 46.2 |
11 (C) | 40.4 |
12 (CH2) | 42.7 |
13 (CH2) | 27.5 |
14 (CH) | 49.3 |
15 (C) | 148 |
16 (CH2) | 110.2 |
17 (CH3) | 25.8 |
18 (CH3) | 17.4 |
19 (CH3) | 28.9 |
20 (CH3) | 21.8 |