Common Name: Taxumairol C
Synonyms: 7β,9α,10β-trideacetyl-1β-hydroxybaccatin I
CAS Registry Number: 189368-20-5
InChI: InChI=1S/C26H38O11/c1-11-15(35-12(2)27)9-26(33)22(37-14(4)29)20-24(7,21(32)19(31)18(11)23(26,5)6)16(30)8-17(36-13(3)28)25(20)10-34-25/h15-17,19-22,30-33H,8-10H2,1-7H3/t15-,16-,17-,19+,20-,21-,22-,24+,25+,26+/m0/s1
InChIKey: InChIKey=KZAGLSLWTPIHTC-FAIJNDQNSA-N
Formula: C26H38O11
Molecular Weight: 526.57
Exact Mass: 526.2414
NMR Solvent: CDCl3
MHz: 300.0
Calibration: TMS
NMR references: Ya-Ching Shen, and Ching-Yeu Chen (1997). Taxanes from the roots of Taxus mairei. Phytochemistry 44, 1527–1533.
Species: Taxus
Notes: Relative stereochemistry not reported for protons at position 6.
Position | PPM | Peak Type | J (Hz) |
---|---|---|---|
2 | 5.36 | d | 3.3 |
3 | 3.07 | d | 3.3 |
5 | 4.21 | br s | |
6 | 2.05 | m | |
6 | 1.83 | m | |
7 | 4.21 | m | |
9 | 4.41 | d | 10 |
10 | 4.97 | d | 10 |
13 | 6.08 | m | |
14α | 1.83 | m | |
14β | 2.52 | m | |
16 | 1.59 | s | |
17 | 1.3 | s | |
18 | 2 | s | |
19 | 1.39 | s | |
20 | 3.49 | d | 5.1 |
20 | 2.31 | d | 5.1 |
OAc | 2.1 | s | |
OAc | 2.06 | s | |
OAc | 2.18 | s |
Position | PPM |
---|---|
1 | 76.2 |
2 | 71.3 |
3 | 40.3 |
4 | 58.3 |
5 | 78.2 |
6 | 33.2 |
7 | 70.1 |
8 | 45.9 |
9 | 76.9 |
10 | 71 |
11 | 139.5 |
12 | 137.2 |
13 | 72.7 |
14 | 38.5 |
15 | 43.5 |
16 | 21.8 |
17 | 15.7 |
18 | 28.8 |
19 | 13.4 |
20 | 49.8 |
OAc | 169.9 |
OAc | 21.4 |
OAc | 169.1 |
OAc | 21 |
OAc | 170.1 |
OAc | 21.7 |