Spektraris NMR

Common Name: 13-Sulfo-dihydrosantamarine

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H22O6S/c1-8-3-4-11(16)15(2)6-5-9-10(7-22(18,19)20)14(17)21-13(9)12(8)15/h3,9-13,16H,4-7H2,1-2H3,(H,18,19,20)/t9-,10-,11+,12+,13-,15-/m0/s1

InChIKey: InChIKey=MXDYUQKBEOVZSA-DMLGPZFASA-N

Formula: C15H22O6S1

Molecular Weight: 330.398249

Exact Mass: 330.113709

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Yin, H.Q., Fu, H.W., Hua, H.M., Qi, X.L., Li, W., Sha, Y., Pei, Y.H. Chem Pharm Bull (2005) 53, 841-2

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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)