(4S)-4,4a,5,6,7,7a,8,8a-Octahydro-2-oxo-4abeta,7beta-dimethyl-8aalpha-hydroxy-2H-indeno[5,6-b]furan-4beta,7abeta-dicarboxylic acid dimethyl ester

(4S)-4,4a,5,6,7,7a,8,8a-Octahydro-2-oxo-4abeta,7beta-dimethyl-8aalpha-hydroxy-2H-indeno[5,6-b]furan-4beta,7abeta-dicarboxylic acid dimethyl ester

Common Name: (4S)-4,4a,5,6,7,7a,8,8a-Octahydro-2-oxo-4abeta,7beta-dimethyl-8aalpha-hydroxy-2H-indeno[5,6-b]furan-4beta,7abeta-dicarboxylic acid dimethyl ester

Synonyms: (4S)-4,4a,5,6,7,7a,8,8a-Octahydro-2-oxo-4abeta,7beta-dimethyl-8aalpha-hydroxy-2H-indeno[5,6-b]furan-4beta,7abeta-dicarboxylic acid dimethyl ester

CAS Registry Number:

InChI: InChI=1S/C17H22O7/c1-9-5-6-15(2)12(13(19)22-3)10-7-11(18)24-17(10,21)8-16(9,15)14(20)23-4/h7,9,12,21H,5-6,8H2,1-4H3/t9-,12+,15+,16+,17-/m1/s1

InChIKey: InChIKey=MFLAAUNRKXBFIQ-YCHFPFSWSA-N

Formula: C17H22O7

Molecular Weight: 338.353041

Exact Mass: 338.136553

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Tazaki, H., Ishikawa, F., Soutome, H., Nabeta, K. Phytochemistry (1998) 48, 851-6

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Pinguisanes; 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 (CH) 37.1
2 (CH2) 29
3 (CH2) 35
4 (CH) 48.2
5 (C) 163.6
6 (C) 103.6
7 (CH2) 36.9
8 (C) 54.3
9 (C) 61.7
10 (CH) 117.9
11 (C) 172.9
12 (C) 169.8
13 (CH3) 15.2
14 (CH3) 17.5
15 (C) 169.5
12a (CH3) 51.5
15a (CH3) 52.2