(4S)-3,4abeta,5beta-Trimethyl-4beta-(isobutyryloxy)-8abeta,9abeta-dihydroxy-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-2-one

(4S)-3,4abeta,5beta-Trimethyl-4beta-(isobutyryloxy)-8abeta,9abeta-dihydroxy-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-2-one

Common Name: (4S)-3,4abeta,5beta-Trimethyl-4beta-(isobutyryloxy)-8abeta,9abeta-dihydroxy-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-2-one

Synonyms: (4S)-3,4abeta,5beta-Trimethyl-4beta-(isobutyryloxy)-8abeta,9abeta-dihydroxy-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-2-one

CAS Registry Number:

InChI: InChI=1S/C19H28O6/c1-10(2)15(20)24-14-13-12(4)16(21)25-19(13,23)9-18(22)8-6-7-11(3)17(14,18)5/h10-11,14,22-23H,6-9H2,1-5H3/t11-,14+,17-,18-,19-/m0/s1

InChIKey: InChIKey=SWBUICHZUKBNOP-KRAFWLIGSA-N

Formula: C19H28O6

Molecular Weight: 352.422753

Exact Mass: 352.188589

NMR Solvent: C6D6

MHz:

Calibration:

NMR references: 13C - Tori, M., Watanabe, A., Matsuo, S., Okamoto, Y., Tachikawa, K., Takaoka, S., Gong, X., Kuroda, C., Hanai, R. Tetrahedron (2008) 64, 4486-95

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) 34.8
2 (CH2) 21.7
3 (CH2) 29.8
4 (CH) 33.2
5 (C) 47.4
6 (CH) 74.2
7 (C) 152
8 (C) 103.5
9 (CH2) 43.8
10 (C) 71.8
11 (C) 130
12 (C) 171.4
13 (CH3) 8.7
14 (CH3) 10.6
15 (CH3) 16.3
6a (C) 175.7
6b (CH) 34.3
6c (CH3) 18.9
6ba (CH3) 18.7