(4S)-4,4a,5,6,7,7a,8,8a-Octahydro-2-oxo-4abeta,7beta,7abeta-trimethyl-8aalpha-methoxy-2H-indeno[5,6-b]furan-4beta-carboxylic acid

(4S)-4,4a,5,6,7,7a,8,8a-Octahydro-2-oxo-4abeta,7beta,7abeta-trimethyl-8aalpha-methoxy-2H-indeno[5,6-b]furan-4beta-carboxylic acid

Common Name: (4S)-4,4a,5,6,7,7a,8,8a-Octahydro-2-oxo-4abeta,7beta,7abeta-trimethyl-8aalpha-methoxy-2H-indeno[5,6-b]furan-4beta-carboxylic acid

Synonyms: (4S)-4,4a,5,6,7,7a,8,8a-Octahydro-2-oxo-4abeta,7beta,7abeta-trimethyl-8aalpha-methoxy-2H-indeno[5,6-b]furan-4beta-carboxylic acid

CAS Registry Number:

InChI: InChI=1S/C16H22O5/c1-9-5-6-14(2)12(13(18)19)10-7-11(17)21-16(10,20-4)8-15(9,14)3/h7,9,12H,5-6,8H2,1-4H3,(H,18,19)/t9-,12+,14+,15+,16-/m1/s1

InChIKey: InChIKey=FHINOWKIUBDLGU-NOGGTJNGSA-N

Formula: C16H22O5

Molecular Weight: 294.343496

Exact Mass: 294.146724

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Bungert, M., Gabler, J., Adam, K.P., Zapp, J., Becker, H. Phytochemistry (1998) 49, 1079-83

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) 36
2 (CH2) 28.2
3 (CH2) 33.5
4 (CH) 47.7
5 (C) 164.9
6 (C) 104.1
7 (CH2) 42.1
8 (C) 47.1
9 (C) 53.9
10 (CH) 117
11 (C) 170.3
12 (CH3) 18.4
13 (CH3) 14.6
14 (CH3) 16.5
15 (C) 170.3
6a (CH3) 52