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

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

Common Name: 1b-Angeloyloxy-6b,10b-dihydroxy-8b-methoxyeremophil-7(11)-en-8a,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-NJJMGCRASA-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) 75.5
2 (CH2) 27.1
3 (CH2) 25.7
4 (CH) 33.4
5 (C) 47.4
6 (CH) 72.2
7 (C) 153.7
8 (C) 105.4
9 (CH2) 43.74
10 (C) 76.15
11 (C) 124.4
12 (C) 170.6
13 (CH3) 8.9
14 (CH3) 12.7
15 (CH3) 16.1
1a (C) 167.7
1b (C) 127.3
1c (CH) 139.6
1d (CH3) 15.8
1ba (CH3) 20.7
8a (CH3) 51.1