Spektraris NMR

Common Name: (1R,4R,4aS,7aS)-4,7-dihydroxymethyl-1-hydroxyl-1,4,4a,7a-tetrahydrocyclopenta-6-ene[e]pyran-3-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C10H14O5/c11-3-5-1-2-6-7(4-12)9(13)15-10(14)8(5)6/h1,6-8,10-12,14H,2-4H2/t6-,7+,8-,10-/m1/s1

InChIKey: InChIKey=LDJZVWVYPYDYHZ-IBCQBUCCSA-N

Formula: C10H14O5

Molecular Weight: 214.215554

Exact Mass: 214.084124

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Dai, J.Q., Liu, Z.L., Yang, L. Phytochemistry (2002) 59, 537-42

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)