2α,13α-diacetoxy-10β-hydroxy-2(3→20)abeotaxa-4(20),6,11-triene-5,9-dione

2α,13α-diacetoxy-10β-hydroxy-2(3→20)abeotaxa-4(20),6,11-triene-5,9-dione

Common Name: 2α,13α-diacetoxy-10β-hydroxy-2(3→20)abeotaxa-4(20),6,11-triene-5,9-dione

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H30O7/c1-12-18(30-13(2)25)10-16-19(31-14(3)26)9-15-11-24(6,8-7-17(15)27)22(29)21(28)20(12)23(16,4)5/h7-9,16,18-19,21,28H,10-11H2,1-6H3/b15-9+/t16-,18?,19?,21+,24+/m0/s1

InChIKey: HUMGGKRTITVYNP-NOBNDBCWSA-N

Formula: C24H30O7

Molecular Weight: 450.528

Exact Mass: 430.1992

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 unknown

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1 1.74 dd 7.9, 2.4
2 5.72 dd 10.5, 2.4
3α 3.14 dd 15.8, 1.6
3β 2.55 dd 15.8, 2.4
6 6.27 d 10
7 6.53 dd 10, 1.6
10 5.05 d 1.3
13 5.26 d 10
14α 1.97 d 16.8
14β 2.67 ddd 16.8, 10, 7.9
16 1.17 o s
17 1.16 o s
18 1.51 o s
19 1.51 o s
20 6.4 dd 10.5, 2.4
10-OH 4.13 br d