2α, 7ß, 10ß-triacetoxy-5α,13α-dihydroxy-2(3 -> 20)abeotaxa-4(20),11-dien-9- one

2α, 7ß, 10ß-triacetoxy-5α,13α-dihydroxy-2(3 -> 20)abeotaxa-4(20),11-dien-9- one

Common Name: 2α, 7ß, 10ß-triacetoxy-5α,13α-dihydroxy-2(3 -> 20)abeotaxa-4(20),11-dien-9- one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H36O9/c1-12-18(30)9-17-20(33-13(2)27)8-16-11-26(7,21(10-19(16)31)34-14(3)28)24(32)23(35-15(4)29)22(12)25(17,5)6/h8,17-21,23,30-31H,9-11H2,1-7H3/b16-8+/t17-,18-,19-,20?,21?,23?,26-/m0/s1

InChIKey: QOEYTTFNPSJGJP-LDHMSTSBSA-N

Formula: C26H36O9

Molecular Weight: 531.1996

Exact Mass: 531.1998

NMR Solvent: CDCl3

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

Calibration: TMS

NMR references: Shi, Q. W.

Li, Z. P.

Zhao, D.

Gu, J. S.

Oritani, T.

Kiyota, H. Biosci. Biotechnol. Biochem. 2004, 68, 1584.

Species: Air-dried needles of Taxus canadesis

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1 1.66 br d 8.2
2 5.72 d 10
3a 1.93 d 15.8
3b 2.66 d 15.8
5 4.59 br d 3
6 2.05 m
7 5.24 dd 11.7, 3.8
10 6.33 s
13 4.1 d 9.9
14a 2.17 d 17.2
14b 2.57 ddd 17.2, 9.9, 8.2
16 1.08 s
17 1.24 s
18 2.09 s
19 1.26 s
20 5.75 d 1
OAc 2.14 s
OAc 2.09 s
OAc 2.01 s

Carbon NMR Peaks

Position PPM
1 46.57
2 70.53
3 35.62
4 136.47
5 68.5
6 34.98
7 70.27
8 54.54
9 206.16
10 78.24
11 128.76
12 141
13 66.78
14 28.64
15 37.33
16 35.68
17 24.3
18 19.54
19 20.76
20 126.1