Common Name: 4beta-(Isobutyryloxy)-8beta,8aalpha-dihydroxy-3,4abeta,5beta-trimethyl-4,4a,5,6,7,8-hexahydronaphtho[2,3-b]furan-9(8aH)-one
Synonyms: 4beta-(Isobutyryloxy)-8beta,8aalpha-dihydroxy-3,4abeta,5beta-trimethyl-4,4a,5,6,7,8-hexahydronaphtho[2,3-b]furan-9(8aH)-one
CAS Registry Number:
InChI: InChI=1S/C19H26O6/c1-9(2)17(22)25-16-13-10(3)8-24-14(13)15(21)19(23)12(20)7-6-11(4)18(16,19)5/h8-9,11-12,16,20,23H,6-7H2,1-5H3/t11-,12+,16+,18-,19+/m0/s1
InChIKey: InChIKey=PEWPCEZVXROTHG-FBLTZUPUSA-N
Formula: C19H26O6
Molecular Weight: 350.406871
Exact Mass: 350.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Liu, X., Wu, Q.X., Wei, X.N., Shi, Y.P. Helv Chim Acta (2007) 90, 1802-10
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)
Position | PPM |
---|---|
1 (CH) | 62.1 |
2 (CH2) | 24.4 |
3 (CH2) | 23.4 |
4 (CH) | 32 |
5 (C) | 50.2 |
6 (CH) | 68.3 |
7 (C) | 139.6 |
8 (C) | 146.1 |
9 (C) | 186.4 |
10 (C) | 80.5 |
11 (C) | 121.8 |
12 (CH) | 147.4 |
13 (CH3) | 8.5 |
14 (CH3) | 16 |
15 (CH3) | 16 |
6a (C) | 176.5 |
6b (CH) | 34.2 |
6c (CH3) | 18.6 |
6ba (CH3) | 19.5 |