3b-Angeloyloxy-10b-hydroxy-6b-methoxyeremophila-7(11),8(9)-dien-8,12-olide

3b-Angeloyloxy-10b-hydroxy-6b-methoxyeremophila-7(11),8(9)-dien-8,12-olide

Common Name: 3b-Angeloyloxy-10b-hydroxy-6b-methoxyeremophila-7(11),8(9)-dien-8,12-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H28O6/c1-7-11(2)18(22)26-14-8-9-21(24)10-15-16(12(3)19(23)27-15)17(25-6)20(21,5)13(14)4/h7,10,13-14,17,24H,8-9H2,1-6H3/b11-7-/t13-,14-,17+,20-,21-/m0/s1

InChIKey: InChIKey=NPOXQTDQWIYLML-YMUSBNEKSA-N

Formula: C21H28O6

Molecular Weight: 376.444225

Exact Mass: 376.188589

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Mao, M., Yang, Z., Jia, Z. Planta Med (2003) 69, 745-9

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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 (CH2) 27.2
2 (CH2) 30.3
3 (CH) 72.3
4 (CH) 37.2
5 (C) 45.3
6 (CH) 78.5
7 (C) 143.8
8 (C) 147.8
9 (CH) 112
10 (C) 73.8
11 (C) 120.8
12 (C) 170.1
13 (CH3) 9.2
14 (CH3) 13
15 (CH3) 12.4
3a (C) 167.2
3b (C) 127.6
3c (CH) 139
3d (CH3) 15.7
3ba (CH3) 20.8
6a (CH3) 58.3