(7E,12E,18S,20Z)-22-O-Methylvariabilin

(7E,12E,18S,20Z)-22-O-Methylvariabilin

Common Name: (7E,12E,18S,20Z)-22-O-Methylvariabilin

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H36O4/c1-19(9-6-10-20(2)12-8-14-23-15-16-29-18-23)11-7-13-21(3)17-24-25(28-5)22(4)26(27)30-24/h9,12,15-18,21H,6-8,10-11,13-14H2,1-5H3/b19-9+,20-12+,24-17-/t21-/m0/s1

InChIKey: InChIKey=BIHGKHBYUFVWCB-MSWNYABDSA-N

Formula: C26H36O4

Molecular Weight: 412.56262

Exact Mass: 412.26136

NMR Solvent: C+C

MHz:

Calibration:

NMR references: 13C - Holler, U., Konig, G.M., Wright, A.D. J Nat Prod (1997) 60, 832-5

Species:

Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Acyclics; 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) 142.5
2 (CH) 111.1
3 (C) 125
4 (CH) 138.8
5 (CH2) 25
6 (CH2) 28.4
7 (CH) 123.7
8 (C) 135.7
9 (CH3) 16
10 (CH2) 39.5
11 (CH2) 26.5
12 (CH) 124.3
13 (C) 134.9
14 (CH3) 15.8
15 (CH2) 39.7
16 (CH2) 25.7
17 (CH2) 36.7
18 (CH) 30.8
19 (CH3) 20.7
20 (CH) 115.2
21 (C) 142.7
22 (C) 162
23 (C) 99
24 (C) 171.1
25 (CH3) 8.5
22a (CH3) 58.8