Spektraris NMR

Common Name: 7-Deacetylcanadensene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H40O11/c1-13-21(34)11-22(35)19(12-29)9-24(37-16(4)31)20-10-23(36-15(3)30)14(2)25(28(20,7)8)27(39-18(6)33)26(13)38-17(5)32/h9,20-24,27,29,34-35H,10-12H2,1-8H3/b19-9+,26-13+/t20-,21-,22-,23?,24?,27?/m0/s1

InChIKey: NHCLXSSUPOPGTR-WZTWLPNQSA-N

Formula: C28H40O11

Molecular Weight: 552.617

Exact Mass: 552.2571

NMR Solvent: CDCl3

MHz: 500 MHz (H), 125 MHz (C)

Calibration: TMS

NMR references: Shi, Q. W.

Oritani, T.

Sugiyama, T. Phytochemistry 1999, 50, 633.

Species: Needles of T. mairei collected in the summer of 1995 from Jiagxi Province, China

Notes: structure data identified in taxus