Common Name: Hongdoushan C
Synonyms:
CAS Registry Number: 474975-30-9
InChI: InChI=1S/C27H42O6/c1-9-14(2)25(31)33-20-12-15(3)21-19(30)13-27(8)11-10-18(29)16(4)22(27)24(32-17(5)28)23(20)26(21,6)7/h14,18-20,22-24,29-30H,4,9-13H2,1-3,5-8H3/t14-,18-,19-,20-,22-,23-,24-,27-/m0/s1
InChIKey: InChIKey=JHDROULESJIQAM-QVPXOSEDSA-N
Formula: C27H42O6
Molecular Weight: 462.62
Exact Mass: 462.2981
NMR Solvent: CDCl3
MHz: 400.0
Calibration: TMS
NMR references: Banskota, A.H., Usia, T., Tezuka, Y., Kouda, K., Nguyen, N.T., and Kadota, S. (2002). Three New C-14 Oxygenated Taxanes from the Wood of Taxus yunnanensis. J. Nat. Prod. 65, 1700–1702.
Species: Taxus
Notes: Relative stereochemistry not reported for protons at positions 6, 7, 9, 20, and 3'.
Position | PPM | Peak Type | J (Hz) |
---|---|---|---|
1 | 1.81 | d | 2.2 |
2 | 5.35 | dd | 6.3, 2.2 |
3 | 3.21 | d | 6.3 |
5 | 4.17 | t | 3 |
6 | 1.7 | m | |
6 | 1.63 | m | |
7 | 2.05 | m | |
7 | 1.63 | m | |
9 | 2.35 | m | |
9 | 1.63 | m | |
10 | 5.14 | dd | 11.7, 5.6 |
13 | 2.77 | dd | 18.7, 9.2 |
13 | 2.35 | m | |
14 | 5.03 | dd | 9.2, 4.7 |
16 | 1.71 | s | |
17 | 1.19 | s | |
18 | 1.97 | s | |
19 | 0.81 | s | |
20 | 5.09 | br s | |
20 | 4.75 | br s | |
2' | 2.35 | m | |
3' | 1.63 | m | |
3' | 1.46 | m | |
4' | 0.89 | t | 7.3 |
5' | 1.12 | d | 7.1 |
OAc-2 | 2 | s |
Position | PPM |
---|---|
1 | 59.5 |
2 | 71.1 |
3 | 39.8 |
4 | 147.8 |
5 | 76.4 |
6 | 30.9 |
7 | 33.2 |
8 | 40 |
9 | 47.1 |
10 | 67.6 |
11 | 137.9 |
12 | 133.7 |
13 | 39.5 |
14 | 70.4 |
15 | 37.5 |
16 | 25.4 |
17 | 32.1 |
18 | 21 |
19 | 22.3 |
20 | 113.5 |
1' | 175.9 |
2' | 41.1 |
3' | 26.8 |
4' | 11.5 |
5' | 16.6 |
OAc-2 | 21.3 |
OAc-2 | 169.8 |