8α-methoxyl-6β-angloxyeremophil-7(11)-ene-12,8β-olide-15-oic Acid

8α-methoxyl-6β-angloxyeremophil-7(11)-ene-12,8β-olide-15-oic Acid

Common Name: 8α-methoxyl-6β-angloxyeremophil-7(11)-ene-12,8β-olide-15-oic Acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H28O7/c1-6-11(2)18(24)27-16-15-12(3)19(25)28-21(15,26-5)10-13-8-7-9-14(17(22)23)20(13,16)4/h6,13-14,16H,7-10H2,1-5H3,(H,22,23)/b11-6-/t13-,14-,16-,20+,21-/m1/s1

InChIKey: InChIKey=PLUOSPXAEMKKRW-GVHGUOPMSA-N

Formula: C21H28O7

Molecular Weight: 392.443629

Exact Mass: 392.183503

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Xue, H.Q., Ma, X.M., Xing, X.L., Wang, H.Q. Chem Nat Compd (2007) 43, 746-8

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) 19.01
2 (CH2) 24.76
3 (CH2) 25.11
4 (CH) 41.85
5 (C) 41.62
6 (CH) 72.01
7 (C) 151.23
8 (C) 103.73
9 (CH2) 38.16
10 (CH) 35.08
11 (C) 129.43
12 (C) 171.53
13 (CH3) 9.66
14 (CH3) 19.12
15 (C) 175.73
6a (C) 166.58
6b (C) 128.32
6c (CH) 141.07
6d (CH3) 20.76
6e (CH3) 18.89
8a (CH3) 50.77