2α,9α-diacetoxy-5α,10β-dihydroxytaxa-4(20),11-diene-13-one

2α,9α-diacetoxy-5α,10β-dihydroxytaxa-4(20),11-diene-13-one

Common Name: 2α,9α-diacetoxy-5α,10β-dihydroxytaxa-4(20),11-diene-13-one

Synonyms:

CAS Registry Number: 525601-70-1

InChI: InChI=1S/C24H34O7/c1-11-16(27)8-9-24(7)19(11)21(30-13(3)25)15-10-17(28)12(2)18(23(15,5)6)20(29)22(24)31-14(4)26/h15-16,19-22,27,29H,1,8-10H2,2-7H3/t15-,16-,19-,20+,21+,22-,24+/m0/s1

InChIKey: InChIKey=QDESMWNHLBUHSX-XZPLFTEOSA-N

Formula: C24H34O7

Molecular Weight: 434.52

Exact Mass: 434.2305

NMR Solvent: CDCl3

MHz: 500.0

Calibration: not mentioned in literature reference

NMR references: Shi, Q.-W., Sauriol, F., Mamer, O., and Zamir, L.O. (2003). New Taxanes from the Needles of Taxus canadensis. J. Nat. Prod. 66, 470–476.

Species: Taxus

Notes: Carbon 4 13C-NMR chemical shift is missing.

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1 2.16 m
2 5.51 dd 6.1, 1.7
3 3.58 dd 6.1
5 4.17 br s
6a 1.75 m
6b 1.58 m
7a 1.75 m
7b 1.61 m
9 5.72 d 9.9
10 5.04 d 9.9
14a 2.78 dd 19.7, 7
14b 2.33 d 19.7
16 1.21 s
17 1.8 s
18 2.08 s
19 0.88 s
20a 5.13 br s
20b 4.78 s
CH3CO-9 2.16 s
CH3CO-2 2.05 s

Carbon NMR Peaks

Position PPM
1 48.7
2 70
3 41
5 76.1
6 30.5
7 26.4
8 44.5
9 79.1
10 71.9
11 153.3
12 136
13 199.6
14 36.2
15 37.7
16 37.5
17 25.3
18 14
19 17.5
20 114
CH3CO-9 21
CH3CO-9 171.5
CH3CO-2 21.5
CH3CO-2 169