4-{2-[(1aS,3aS,4R,5S,7aS,10aR)-10-Hydroxy-8-methoxy-4,5-dimethyloctahydrooxireno[1,2]naphtho[1,8a-c]furan-4-yl]ethyl}-2(5H)-furanone

4-{2-[(1aS,3aS,4R,5S,7aS,10aR)-10-Hydroxy-8-methoxy-4,5-dimethyloctahydrooxireno[1,2]naphtho[1,8a-c]furan-4-yl]ethyl}-2(5H)-furanone

Common Name: 4-{2-[(1aS,3aS,4R,5S,7aS,10aR)-10-Hydroxy-8-methoxy-4,5-dimethyloctahydrooxireno[1,2]naphtho[1,8a-c]furan-4-yl]ethyl}-2(5H)-furanone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H30O6/c1-12-6-9-20-14(19(12,2)8-7-13-10-16(22)25-11-13)4-5-15-21(20,27-15)17(23)26-18(20)24-3/h10,12,14-15,17-18,23H,4-9,11H2,1-3H3/t12-,14-,15-,17?,18?,19+,20+,21+/m0/s1

InChIKey: InChIKey=RCINJPDEYMPQRW-NGVUDGAJSA-N

Formula: C21H30O6

Molecular Weight: 378.460106

Exact Mass: 378.204239

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Harraz, F.M., Pcolinski, M.J., Doskotch, R.W. J Nat Prod (1996) 59, 5-14

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) 17.93
2 (CH2) 26.56
3 (CH) 57.1
4 (C) 70.8
5 (C) 46.17
6 (CH2) 20.09
7 (CH2) 25.59
8 (CH) 34.51
9 (C) 37.72
10 (CH) 38.32
11 (CH2) 38.76
12 (CH2) 23.61
13 (C) 171.69
14 (CH) 114.84
15 (C) 174.23
16 (CH2) 73.39
17 (CH3) 16.85
18 (CH) 109.59
19 (CH) 98.37
20 (CH3) 21.73
18a (CH3) 55.36