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:
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 |
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 |