(4aS)-3,4aalpha,5alpha-Trimethyl-9abeta-hydroxy-2,4,4a,5,6,7,8,9a-octahydronaphtho[2,3-b]furan-2,8-dione

(4aS)-3,4aalpha,5alpha-Trimethyl-9abeta-hydroxy-2,4,4a,5,6,7,8,9a-octahydronaphtho[2,3-b]furan-2,8-dione

Common Name: (4aS)-3,4aalpha,5alpha-Trimethyl-9abeta-hydroxy-2,4,4a,5,6,7,8,9a-octahydronaphtho[2,3-b]furan-2,8-dione

Synonyms: (4aS)-3,4aalpha,5alpha-Trimethyl-9abeta-hydroxy-2,4,4a,5,6,7,8,9a-octahydronaphtho[2,3-b]furan-2,8-dione

CAS Registry Number:

InChI: InChI=1S/C15H18O4/c1-8-4-5-12(16)11-7-15(18)10(6-14(8,11)3)9(2)13(17)19-15/h7-8,18H,4-6H2,1-3H3/t8-,14+,15+/m1/s1

InChIKey: InChIKey=HIHQWOMFLLVLEQ-YIUPMNOESA-N

Formula: C15H18O4

Molecular Weight: 262.301592

Exact Mass: 262.120509

NMR Solvent: CD3COCD3

MHz:

Calibration:

NMR references: 13C - Liu, J.Q., Zhang, M., Zhang, C.F., Qi, H.Y., Bashall, A., Bligh, S.W.A., Wang, Z.T. Phytochemistry (2008) 69, 2231-6

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 (C) 201.6
2 (CH2) 39.9
3 (CH2) 27.7
4 (CH) 40.2
5 (C) 45.7
6 (CH2) 35.3
7 (C) 156.6
8 (C) 98.6
9 (CH) 125.8
10 (C) 148.5
11 (C) 123.5
12 (C) 171.2
13 (CH3) 7.8
14 (CH3) 17.5
15 (CH3) 14.5