Common Name: 1β,7β-Dihydroxy-4β,20-epoxy-2α,5α,9α,10β,13α-pentaacetoxy-tax-11-ene
Synonyms: 2α,5α,9α,10β,13α-pentaacetoxy-4β,20-epoxytax-11-ene-1β,7β-diol
CAS Registry Number: 151716-26-6
InChI: InChI=1S/C30H42O13/c1-13-19(39-14(2)31)11-30(37)26(43-18(6)35)24-28(9,20(36)10-21(40-15(3)32)29(24)12-38-29)25(42-17(5)34)23(41-16(4)33)22(13)27(30,7)8/h19-21,23-26,36-37H,10-12H2,1-9H3/t19-,20-,21-,23+,24-,25-,26-,28+,29+,30+/m0/s1
InChIKey: InChIKey=FOEBWBJOXJBODA-RRHJOLCQSA-N
Formula: C30H42O13
Molecular Weight: 610.65
Exact Mass: 610.2625
NMR Solvent: acetone-d6
MHz: 500.0
Calibration: Residual solvent 2.04 ppm and 29.8 ppm for proton and carbon respectively.
NMR references: Chu, A., Davin, L.B., Zajicek, J., Lewis, N.G., and Croteau, R. (1993). Intramolecular acyl migrations in taxanes from Taxus brevifolia. Phytochemistry 34, 473–476.
Species: Taxus
Notes: Carbon NMR data not available.
Position | PPM | Peak Type | J (Hz) |
---|---|---|---|
2 | 5.49 | d | 3 |
3 | 3.11 | d | 3 |
5 | 4.07 | t | 3 |
6α | 1.84 | m | |
6β | 2 | m | |
7 | 4.24 | dd | 11, 5.5 |
9 | 6.2 | s | |
10 | 6.2 | s | |
13 | 6.03 | m | |
14α | 1.84 | m | |
14β | 2.5 | dd | 14.5, 9.5 |
16 | 1.16 | s | |
17 | 1.63 | s | |
18 | 2.19 | d | 1.5 |
19 | 1.21 | s | |
20 | 2.27 | d | 5 |
20' | 3.6 | d | 5 |
COMe | 1.96 | s | |
COMe | 2.02 | s | |
COMe | 2.12 | s | |
COMe | 2.14 | s | |
COMe | 2.24 | s |