(4S)-4a,5,6,7,8,8a,9,9a-Octahydro-8abeta,9abeta-dihydroxy-4beta-methoxy-3,4abeta,5beta-trimethylnaphtho[2,3-b]furan-2(4H)-one

(4S)-4a,5,6,7,8,8a,9,9a-Octahydro-8abeta,9abeta-dihydroxy-4beta-methoxy-3,4abeta,5beta-trimethylnaphtho[2,3-b]furan-2(4H)-one

Common Name: (4S)-4a,5,6,7,8,8a,9,9a-Octahydro-8abeta,9abeta-dihydroxy-4beta-methoxy-3,4abeta,5beta-trimethylnaphtho[2,3-b]furan-2(4H)-one

Synonyms: (4S)-4a,5,6,7,8,8a,9,9a-Octahydro-8abeta,9abeta-dihydroxy-4beta-methoxy-3,4abeta,5beta-trimethylnaphtho[2,3-b]furan-2(4H)-one

CAS Registry Number:

InChI: InChI=1S/C16H24O5/c1-9-6-5-7-15(18)8-16(19)11(10(2)13(17)21-16)12(20-4)14(9,15)3/h9,12,18-19H,5-8H2,1-4H3/t9-,12+,14-,15-,16-/m0/s1

InChIKey: InChIKey=KIJIXRMZCFRLDC-KTBXZTKVSA-N

Formula: C16H24O5

Molecular Weight: 296.359377

Exact Mass: 296.162374

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Zhang, S.M., Zhao, G.L., Li, R., Lin, G.Q. Phytochemistry (1998) 48, 519-24

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 (CH2) 34.5
2 (CH2) 21.8
3 (CH2) 29.6
4 (CH) 33.5
5 (C) 47.7
6 (CH) 80.6
7 (C) 153.4
8 (C) 103.7
9 (CH2) 44.9
10 (C) 75.1
11 (C) 129.4
12 (C) 170.7
13 (CH3) 8.7
14 (CH3) 11.1
15 (CH3) 16.4
6a (CH3) 57.8