1α-Acetoxy-6β-(2Õ-methylbutyryloxy)-10αH-9-oxofuranoeremophilane

1α-Acetoxy-6β-(2Õ-methylbutyryloxy)-10αH-9-oxofuranoeremophilane

Common Name: 1α-Acetoxy-6β-(2Õ-methylbutyryloxy)-10αH-9-oxofuranoeremophilane

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H30O6/c1-7-11(2)21(25)28-20-16-12(3)10-26-19(16)18(24)17-15(27-14(5)23)9-8-13(4)22(17,20)6/h10-11,13,15,17,20H,7-9H2,1-6H3/t11?,13-,15-,17-,20+,22+/m0/s1

InChIKey: InChIKey=DCNOAJGHADNCBC-FZOBTTMPSA-N

Formula: C22H30O6

Molecular Weight: 390.470842

Exact Mass: 390.204239

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Gu, J.Q., Wang, Y., Franzblau, S.G., Montenegro, G., Timmermann, B.N. J Nat Prod (2004) 67, 1483-7

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) 67.3
2 (CH2) 31.2
3 (CH2) 29.7
4 (CH) 41.8
5 (C) 51.1
6 (CH) 74.6
7 (C) 133.5
8 (C) 147.2
9 (C) 184.7
10 (CH) 57.9
11 (C) 120.7
12 (CH) 144.9
13 (CH3) 9
14 (CH3) 17.7
15 (CH3) 8.8
1a (C) 170.5
1b (CH3) 21.2
6a (C) 175.8
6b (CH) 41.1
6c (CH2) 25.7
6d (CH3) 11.7
6e (CH3) 15.5