Spektraris NMR

Common Name: 5α,10β-Dihydroxy-2α,9α,13α-triacetoxytaxa-4(20),11-diene

Synonyms: 2α,9α,13α-triacetoxytaxa-4(20),11-dien-5α,10β-diol

CAS Registry Number: 525601-72-3

InChI: InChI=1S/C26H38O8/c1-12-18(30)9-10-26(8)21(12)23(33-15(4)28)17-11-19(32-14(3)27)13(2)20(25(17,6)7)22(31)24(26)34-16(5)29/h17-19,21-24,30-31H,1,9-11H2,2-8H3/t17-,18-,19-,21-,22+,23+,24-,26+/m0/s1

InChIKey: InChIKey=SEDRNLYVGSCMRF-FJFDHSDVSA-N

Formula: C26H38O8

Molecular Weight: 478.58

Exact Mass: 478.2567

NMR Solvent: CDCL3

MHz: 500.0

Calibration: Not mentioned in literature reference.

NMR references: Shi, Q.-W., Sauriol, F., Mamer, O., and Zamir, L.O. (2003). New Taxanes from the Needles of Taxus canadensis. J. Nat. Prod. 66, 470–476.

Species: Taxus

Notes: Proton NMR data missing for acetate methyl groups and protons at positions 5, 6, 7, and 14. Carbon NMR data for acetate carbons and carbons at positions 4,5, 6, and 14 are missing. Missing signals likely have similar chemical shifts as in 5α,9α-Dihydroxy-2α,10β,13α-triacetoxytaxa-4(20),11-diene (CAS#: 525601-72-3). See mentioned NMR reference.