1β,8-Bisangeloyloxy-3β,4,10,11-bisepoxybisabol-7(14)-en-β-ol

1β,8-Bisangeloyloxy-3β,4,10,11-bisepoxybisabol-7(14)-en-β-ol

Common Name: 1β,8-Bisangeloyloxy-3β,4,10,11-bisepoxybisabol-7(14)-en-β-ol

Synonyms:

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(26)20(16)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=AYANXVCAQBIPIH-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) 71.9
3 (C) 58
4 (CH) 60.1
5 (CH2) 25.2
6 (CH) 39.7
7 (C) 147.4
8 (CH) 74.3
9 (CH2) 33.9
10 (CH) 60.4
11 (C) 57.5
12 (CH3) 18.8
13 (CH3) 24.6
14 (CH2) 114
15 (CH3) 19.6
1a (C) 167.6
1b (C) 128
1c (CH) 139
1d (CH3) 16
1ba (CH3) 21
8a (C) 166.6
8b (C) 128
8c (CH) 138.8
8d (CH3) 15.9
8ba (CH3) 20.8