Spektraris NMR

Common Name: 1β,7β,9α,10β-tetraacetoxytaxa-4(20)-dien-5α-ol

Synonyms: taxa-4-(20),11-diene-5α-hydroxy-1β,7β,9α,10β-tetraacetate

CAS Registry Number: 157768-95-1

InChI: InChI=1S/C28H40O9/c1-14-10-11-28(37-19(6)32)13-20-15(2)21(33)12-22(34-16(3)29)27(20,9)25(36-18(5)31)24(35-17(4)30)23(14)26(28,7)8/h20-22,24-25,33H,2,10-13H2,1,3-9H3/t20-,21+,22+,24-,25+,27+,28-/m1/s1

InChIKey: InChIKey=OPWYHJMXEIMALS-QKPORZECSA-N

Formula: C28H40O9

Molecular Weight: 520.61

Exact Mass: 520.2672

NMR Solvent: CDCl3

MHz: 400.0

Calibration: Not mentioned in reference.

NMR references: Topcu, G., Sultana, N., Akhtar, F., Habib-ur-rehman, Hussain, T., Choudhary, M.I., and Atta-ur-rahman (1994). Taxane Diterpenes from Taxus baccata. Natural Product Letters 4, 93–100.

Species: Taxus

Notes: Proton assignments at positions 13 and 14 missing. 13C NMR data not available.