1-​Hydroxytaxinine A

1-​Hydroxytaxinine A

Common Name: 1-​Hydroxytaxinine A

Synonyms: 2,​9,​10-​Tri-​O-​acetyltaxicin I

CAS Registry Number: 158137-46-3

InChI: InChI=1S/C26H36O9/c1-12-17(30)9-10-25(8)20(12)22(34-15(4)28)26(32)11-18(31)13(2)19(24(26,6)7)21(33-14(3)27)23(25)35-16(5)29/h17,20-23,30,32H,1,9-11H2,2-8H3/t17-,20-,21+,22-,23-,25+,26+/m0/s1

InChIKey: InChIKey=HMVNDOFAGCGZSA-OPHIHEFFSA-N

Formula: C26H36O9

Molecular Weight: 492.56

Exact Mass: 492.2359

NMR Solvent: CDCl3

MHz: 500.0

Calibration: CDCl3

NMR references: Tong, X.-J., Liu, Y.-C., and Chang, C.-J. (1995). Taxanes from Taxus x.media Hicksii. Natural Product Letters 6, 197–202.

Species: Taxus

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
2 5.59 d 6.5
3 3.72 d 6.5
5 4.17 br s
6 1.62 m
7 1.81 m
7 1.53 m
9 5.89 d 10.5
10 6.16 d 10.5
14α 2.81 d 19.5
14β 2.61 d 19.5
16 1.67 s
17 1.19 s
18 2.21 s
19 0.89 s
20 4.62 s
20 5.14 s
OAc 2.11 s
OAc 2.06 s
OAc 2.04 s

Carbon NMR Peaks

Position PPM
1 72.4
2 72.9
3 44.9
4 140.6
5 78.7
6 30.6
7 26.6
8 43.7
9 75.6
10 76.1
11 151.3
12 147.1
13 199.4
14 43.6
15 42.8
16 19.8
17 34.3
18 13.9
19 17.3
20 113.9
OAc 21.1
OAc 20.9
OAc 20.7
OAc 171.7
OAc 170
OAc 169.6