Spektraris NMR

Common Name: Taxusin tetraol

Synonyms: Taxa-4(20),11-diene-5α,9α,10β,13α-tetrol

CAS Registry Number: 15877-46-0

InChI: InChI=1S/C20H32O4/c1-10-13-8-12-9-15(22)11(2)16(19(12,3)4)17(23)18(24)20(13,5)7-6-14(10)21/h12-15,17-18,21-24H,1,6-9H2,2-5H3/t12-,13-,14+,15+,17-,18+,20-/m1/s1

InChIKey: InChIKey=FMWULVIPGFAKFN-KYOGYUBWSA-N

Formula: C20H32O4

Molecular Weight: 336.47

Exact Mass: 336.23006

NMR Solvent: CDCl3

MHz: 100.0

Calibration: TMS

NMR references: De Marcano, D., Méndez, B., De Méndez, J., Monasterios, J., Rojas, A.C., and Halsall, T.G. (1983). Carbon-13 NMR spectra of Δ4(20).11- taxadiene derivatives. Organic Magnetic Resonance 21, 524–525.

Species: Taxus

Notes: Only 13-C carbon NMR data is available for this compound. Methyl groups at positions 16 and 17 were labeled 15α and 15β in literature.