(1S,4S,5R,10R)-1-Hydroxy-6-isobutyryloxy-10H-9-oxofuranoeremophilane

(1S,4S,5R,10R)-1-Hydroxy-6-isobutyryloxy-10H-9-oxofuranoeremophilane

Common Name: (1S,4S,5R,10R)-1-Hydroxy-6-isobutyryloxy-10H-9-oxofuranoeremophilane

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C19H26O5/c1-9(2)18(22)24-17-13-10(3)8-23-16(13)15(21)14-12(20)7-6-11(4)19(14,17)5/h8-9,11-12,14,17,20H,6-7H2,1-5H3/t11-,12-,14+,17+,19+/m0/s1

InChIKey: InChIKey=AXTBBOHGQOEWMH-WUXJWGNOSA-N

Formula: C19H26O5

Molecular Weight: 334.407466

Exact Mass: 334.178024

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) 69.3
2 (CH2) 31.8
3 (CH2) 29.7
4 (CH) 33
5 (C) 47.1
6 (CH) 67.9
7 (C) 135.2
8 (C) 147.5
9 (C) 190.3
10 (CH) 53.6
11 (C) 121.5
12 (CH) 145.9
13 (CH3) 7.8
14 (CH3) 15.8
15 (CH3) 15.4
6a (C) 176.3
6b (CH) 34.2
6c (CH3) 19.1
6d (CH3) 18.9