(6alpha)-2beta-(Angeloyloxy)-4beta-[2-(angeloyloxy)-1-methylene-3-(3,3-dimethyloxiranyl)propyl]-1alpha-methyl-7-oxabicyclo[4.1.0]heptane-3beta-ol

(6alpha)-2beta-(Angeloyloxy)-4beta-[2-(angeloyloxy)-1-methylene-3-(3,3-dimethyloxiranyl)propyl]-1alpha-methyl-7-oxabicyclo[4.1.0]heptane-3beta-ol

Common Name: (6alpha)-2beta-(Angeloyloxy)-4beta-[2-(angeloyloxy)-1-methylene-3-(3,3-dimethyloxiranyl)propyl]-1alpha-methyl-7-oxabicyclo[4.1.0]heptane-3beta-ol

Synonyms: (6alpha)-2beta-(Angeloyloxy)-4beta-[2-(angeloyloxy)-1-methylene-3-(3,3-dimethyloxiranyl)propyl]-1alpha-methyl-7-oxabicyclo[4.1.0]heptane-3beta-ol

CAS Registry Number:

InChI: InChI=1S/C25H36O7/c1-9-13(3)22(27)29-17(12-18-24(6,7)31-18)15(5)16-11-19-25(8,32-19)21(20(16)26)30-23(28)14(4)10-2/h9-10,16-21,26H,5,11-12H2,1-4,6-8H3/b13-9-,14-10-/t16-,17?,18?,19-,20+,21+,25-/m1/s1

InChIKey: InChIKey=SOLKVQDUFSZHNA-QMTJVUFESA-N

Formula: C25H36O7

Molecular Weight: 448.550099

Exact Mass: 448.246104

NMR Solvent: C6D6

MHz:

Calibration:

NMR references: 13C - Onuki, H., Yamazaki, M., Nakamura, A., Hanai, R., Kuroda, C., Gong, X., Shen, Y.M., Hirota, H. J Nat Prod (2008) 71, 520-4

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 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) 70.3
2 (CH) 73.5
3 (C) 60.7
4 (CH) 61.2
5 (CH2) 25.9
6 (CH) 40.3
7 (C) 148
8 (CH) 74.7
9 (CH2) 34.3
10 (CH) 60.6
11 (C) 57.7
12 (CH3) 19
13 (CH3) 24.7
14 (CH2) 114.9
15 (CH3) 19.1
2a (C) 167.2
2b (C) 128
2c (CH) 139
2d (CH3) 16
2ba (CH3) 20.8
8a (C) 166.5
8b (C) 128
8c (CH) 138.9
8d (CH3) 15.9
8ba (CH3) 20.7