(1R,3E,7E,11R,12Z)-(+)-Verticilla-3,7,12-triene

(1R,3E,7E,11R,12Z)-(+)-Verticilla-3,7,12-triene

Common Name: (1R,3E,7E,11R,12Z)-(+)-Verticilla-3,7,12-triene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32/c1-15-7-6-8-16(2)10-14-19-17(3)11-13-18(12-9-15)20(19,4)5/h8-9,11,18-19H,6-7,10,12-14H2,1-5H3/b15-9+,16-8+/t18-,19-/m1/s1

InChIKey: InChIKey=QNMSLJUGAUPVTC-TXLKRMSRSA-N

Formula: C20H32

Molecular Weight: 272.468822

Exact Mass: 272.250401

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Hernandez-Hernandez, J.D., Roman-Marin, L.U., Cerda-Garcia-Rojas, C.M., Joseph-Nathan, P. J Nat Prod (2005) 68, 1598-602

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Verticillanes; 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) 42.4
2 (CH2) 34.1
3 (CH) 124.7
4 (C) 132.7
5 (CH2) 40.9
6 (CH2) 26.7
7 (CH) 129.9
8 (C) 132.9
9 (CH2) 39.6
10 (CH2) 21.4
11 (CH) 38
12 (C) 135.9
13 (CH) 121.6
14 (CH2) 30.7
15 (C) 35.7
16 (CH3) 23.7
17 (CH3) 27.1
18 (CH3) 23
19 (CH3) 15.7
20 (CH3) 15.2