8-Angeloyloxy-3β,4β,10,11-bisepoxy-1β-(2-methylbutyryloxy)bisabol7(14)-en-2β-ol-

8-Angeloyloxy-3β,4β,10,11-bisepoxy-1β-(2-methylbutyryloxy)bisabol7(14)-en-2β-ol-

Common Name: 8-Angeloyloxy-3β,4β,10,11-bisepoxy-1β-(2-methylbutyryloxy)bisabol7(14)-en-2β-ol-

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H38O7/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/h9,14,16-21,26H,5,10-12H2,1-4,6-8H3/b13-9-/t14?,16-,17?,18?,19-,20+,21+,25-/m1/s1

InChIKey: InChIKey=BHFRFWFZCKDMPW-ITVGBHGTSA-N

Formula: C25H38O7

Molecular Weight: 450.565981

Exact Mass: 450.261754

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) 72.3
3 (C) 58.2
4 (CH) 60.2
5 (CH2) 25
6 (CH) 40.1
7 (C) 148.1
8 (CH) 74.4
9 (CH2) 34.2
10 (CH) 60.6
11 (C) 58
12 (CH3) 19
13 (CH3) 24.8
14 (CH2) 114.2
15 (CH3) 19.8
1a (C) 176.6
1b (CH) 41.8
1c (CH2) 26.8
1d (CH3) 11.8
1ba (CH3) 17.2
8a (C) 166.8
8b (C) 128
8c (CH) 139
8d (CH3) 15.9
8ba (CH3) 20.8