1b-Angeloyloxy-6b,10a-dihydroxy-8a-methoxyeremophil-7(11)-en-8b,12-olide

1b-Angeloyloxy-6b,10a-dihydroxy-8a-methoxyeremophil-7(11)-en-8b,12-olide

Common Name: 1b-Angeloyloxy-6b,10a-dihydroxy-8a-methoxyeremophil-7(11)-en-8b,12-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H30O7/c1-7-11(2)17(23)27-14-9-8-12(3)19(5)16(22)15-13(4)18(24)28-21(15,26-6)10-20(14,19)25/h7,12,14,16,22,25H,8-10H2,1-6H3/b11-7-/t12-,14+,16+,19-,20-,21+/m0/s1

InChIKey: InChIKey=CDXRTRKAWMYIAC-JPFHDFOHSA-N

Formula: C21H30O7

Molecular Weight: 394.459511

Exact Mass: 394.199153

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Liu, J.X., Wei, X.N., Shi, Y.P. Planta Med (2006) 72, 175-9

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 (CH) 73.7
2 (CH2) 21.4
3 (CH2) 26.3
4 (CH) 31.05
5 (C) 50.8
6 (CH) 70.4
7 (C) 156.5
8 (C) 103.9
9 (CH2) 41.3
10 (C) 75
11 (C) 127.5
12 (C) 171.6
13 (CH3) 8.9
14 (CH3) 12.5
15 (CH3) 16.8
1a (C) 166.5
1b (C) 127.8
1c (CH) 138.1
1d (CH3) 15.8
1ba (CH3) 20.6
8a (CH3) 50.1