5α-Hydroxy-9α,10β,13α-triacetoxytaxa-4(20),11-diene

5α-Hydroxy-9α,10β,13α-triacetoxytaxa-4(20),11-diene

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

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

CAS Registry Number: 183067-79-0

InChI: InChI=1S/C26H38O7/c1-13-19-11-18-12-21(31-15(3)27)14(2)22(25(18,6)7)23(32-16(4)28)24(33-17(5)29)26(19,8)10-9-20(13)30/h18-21,23-24,30H,1,9-12H2,2-8H3/t18-,19-,20+,21+,23-,24+,26-/m1/s1

InChIKey: InChIKey=MKUADAFIGXOLFX-PYEAJSISSA-N

Formula: C26H38O7

Molecular Weight: 462.58

Exact Mass: 462.2618

NMR Solvent: CDCl3

MHz: 300.0

Calibration: not reported

NMR references: Shung-Jim Yang, Jim-Min Fang, and Yu-Shia Cheng (1996). Taxanes from Taxus mairei. Phytochemistry 43, 839–842.

Species: Taxus

Notes: Assignments for protons at positions 2 and 7 are not reported.

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1 1.76 m
3 3.26 d 4.5
5 4.26 br s
9 5.73 d 10.2
10 6.07 d 10.2
13 5.67 dd 7.8, 3.3
14 1.12 dd 15.3, 4.5
16 1.55 s
17 0.97 s
18 2.08 s
19 0.68 s
20 4.71 br s
20 5.09 br s

Carbon NMR Peaks

Position PPM
1 39.5
2 32.3
3 36.1
4 153.3
5 77.4
6 26.4
7 29
8 43.4
9 74.3
10 72.8
11 136.1
12 137.2
13 70.2
14 26
15 38.7
16 27.4
17 32.3
18 15.8
19 17.1
20 111.1