Spektraris NMR

Common Name: 7-Hydroxy-8-(hydroxymethyl)-4-methylenehexahydrocyclopenta[c]pyran-1(3H)-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C10H14O4/c1-5-4-14-10(13)9-6(5)2-8(12)7(9)3-11/h6-9,11-12H,1-4H2/t6-,7+,8+,9+/m0/s1

InChIKey: InChIKey=CVLSTHVYJPHTBI-JQCXWYLXSA-N

Formula: C10H14O4

Molecular Weight: 198.216149

Exact Mass: 198.089209

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Zhang, Y., Lu, Y., Zhang, L., Zheng, Q.T., Xu, L.Z., Yang, S.L. J Nat Prod (2005) 68, 1131-3

Species:

Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Iridoids; 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)