(4S)-2-Oxo-3,4abeta,5beta-trimethyl-2,4,4a,5,6,7,8,8a-octahydronaphtho[2,3-b]furan-4beta,6beta,8abeta-triol 6-acetate

(4S)-2-Oxo-3,4abeta,5beta-trimethyl-2,4,4a,5,6,7,8,8a-octahydronaphtho[2,3-b]furan-4beta,6beta,8abeta-triol 6-acetate

Common Name: (4S)-2-Oxo-3,4abeta,5beta-trimethyl-2,4,4a,5,6,7,8,8a-octahydronaphtho[2,3-b]furan-4beta,6beta,8abeta-triol 6-acetate

Synonyms: (4S)-2-Oxo-3,4abeta,5beta-trimethyl-2,4,4a,5,6,7,8,8a-octahydronaphtho[2,3-b]furan-4beta,6beta,8abeta-triol 6-acetate

CAS Registry Number:

InChI: InChI=1S/C17H22O6/c1-8-13-12(23-15(8)20)7-17(21)6-5-11(22-10(3)18)9(2)16(17,4)14(13)19/h7,9,11,14,19,21H,5-6H2,1-4H3/t9-,11-,14+,16-,17-/m0/s1

InChIKey: InChIKey=QLBGTECONHIYJH-KLHGTCQHSA-N

Formula: C17H22O6

Molecular Weight: 322.353636

Exact Mass: 322.141638

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Deng, M., Dong, W., Jiao, W., Lu, R. Helv Chim Acta (2009) 92, 495-501

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) 30.7
2 (CH2) 27.3
3 (CH) 73.2
4 (CH) 36.6
5 (C) 44.3
6 (CH) 67.5
7 (C) 148.4
8 (C) 147.8
9 (CH) 112.4
10 (C) 74.3
11 (C) 123.8
12 (C) 170.9
13 (CH3) 9.3
14 (CH3) 13.2
15 (CH3) 12.4
3a (C) 170.2
3b (CH3) 21.4