7β,10β-diacetoxy-2α,5α,13α-trihydroxy-2(3→20)abeotaxa-4(20),11-dien-9-one

7β,10β-diacetoxy-2α,5α,13α-trihydroxy-2(3→20)abeotaxa-4(20),11-dien-9-one

Common Name: 7β,10β-diacetoxy-2α,5α,13α-trihydroxy-2(3→20)abeotaxa-4(20),11-dien-9-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H34O8/c1-11-16(27)8-15-18(29)7-14-10-24(6,19(9-17(14)28)31-12(2)25)22(30)21(32-13(3)26)20(11)23(15,4)5/h7,15-19,21,27-29H,8-10H2,1-6H3/b14-7+/t15-,16-,17-,18-,19?,21?,24-/m0/s1

InChIKey: CINGAFSERHAIKI-IEKNBULCSA-N

Formula: C24H34O8

Molecular Weight: 450.528

Exact Mass: 450.2254

NMR Solvent: CDCl3

MHz: 500 (1H); 125 (13C)

Calibration:

NMR references: Shi, Q. W.

Zhao, Y. M.

Si, X. T.

Li, Z. P.

Yamada, T.

Kiyota, H. 1-Deoxypaclitaxel and abeo-Taxoids from the Seeds of Taxus mairei. J. Nat. Prod. 2006, 69, 280.

Species: Taxus chinensis var. mairei seeds collected in Xinning Country, Hunan Province, China in Septemebr of 2000

Notes: NMR callibration unkown

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1 1.65 br d 8.3
2 4.63 br d 9.5
3α 2.55 d 15.5
3β 1.89 d 15.5
5 4.58 br s
6α 2.03 m
6β 2.03 m
7 5.25 dd 11.2, 4.5
10 6.32 s
13 4.1 br d 9.5
14α 2.19 m
14β 2.54 m
16 1.1 s
17 1.19 s
18 2.08 s
19 1.26 s
20 5.79 d 9.5
7-OAc 2.06 s
10-OAc 2.15 s

Carbon NMR Peaks

Position PPM
1 49.2
2 67.1
3 35.7
4 134.5
5 68.4
6 35
7 70.3
8 52.4
9 206.1
10 78.2
11 128.7
12 140.6
13 66.7
14 27.7
15 37.3
16 36.1
17 24.4
18 19.4
20 129.8