1α-hydroxy-6β-isovaleryloxy-10αH-9-oxofuranoeremophilane

1α-hydroxy-6β-isovaleryloxy-10αH-9-oxofuranoeremophilane

Common Name: 1α-hydroxy-6β-isovaleryloxy-10αH-9-oxofuranoeremophilane

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H28O5/c1-10(2)8-14(22)25-19-15-11(3)9-24-18(15)17(23)16-13(21)7-6-12(4)20(16,19)5/h9-10,12-13,16,19,21H,6-8H2,1-5H3/t12-,13-,16-,19+,20+/m0/s1

InChIKey: InChIKey=GSJCLFPVFIAKQC-BQYODTMVSA-N

Formula: C20H28O5

Molecular Weight: 348.434084

Exact Mass: 348.193674

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) 66.4
2 (CH2) 32.8
3 (CH2) 30.2
4 (CH) 41.6
5 (C) 51
6 (CH) 74.6
7 (C) 136.2
8 (C) 146.4
9 (C) 189.2
10 (CH) 60.7
11 (C) 121.1
12 (CH) 146
13 (CH3) 8.9
14 (CH3) 17.7
15 (CH3) 8.7
6a (C) 172.7
6b (CH2) 43.4
6c (CH) 24.6
6d (CH3) 22.7
6e (CH3) 22.7