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
Position | PPM | Peak Type | J (Hz) |
---|---|---|---|
1 | 1.75 | m | |
2 | 5.73 | dd | 11.3, 4.3 |
3 | 5.99 | br.d | 11.3 |
5 | 4.63 | br.s |