1-[(3S,3aR,6S,7aS)-1,3,3a,6,7,7a-Hexahydro-3a,6-dihydroxy-3,7a-dimethyl-3,6-methanobenzofuran-5-yl]ethanone

1-[(3S,3aR,6S,7aS)-1,3,3a,6,7,7a-Hexahydro-3a,6-dihydroxy-3,7a-dimethyl-3,6-methanobenzofuran-5-yl]ethanone

Common Name: 1-[(3S,3aR,6S,7aS)-1,3,3a,6,7,7a-Hexahydro-3a,6-dihydroxy-3,7a-dimethyl-3,6-methanobenzofuran-5-yl]ethanone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C13H18O4/c1-8(14)9-4-13(16)10(2)5-12(9,15)6-11(13,3)17-7-10/h4,15-16H,5-7H2,1-3H3/t10-,11-,12-,13-/m0/s1

InChIKey: InChIKey=PNXUETLHHILYAC-CYDGBPFRSA-N

Formula: C13H18O4

Molecular Weight: 238.28012

Exact Mass: 238.120509

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Cheng, Y.X., Zhou, J., Tan, N.H., Zheng, Q.T., Gong, N.B., Lu, Y. Helv Chim Acta (2001) 84, 2343-6

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Miscellanea; 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 (C) 47.4
2 (CH2) 52.7
3 (C) 71.7
4 (CH2) 51.7
5 (C) 85
6 (CH2) 78.3
7 (C) 83.9
8 (CH) 141.5
9 (C) 144.5
10 (C) 199.4
11 (CH3) 25.9
12 (CH3) 19.2
13 (CH3) 22.1