10β-acetoxy-2α,5α,7β,9α-tetrahydroxytaxa-4(20),11-diene13-one

10β-acetoxy-2α,5α,7β,9α-tetrahydroxytaxa-4(20),11-diene13-one

Common Name: 10β-acetoxy-2α,5α,7β,9α-tetrahydroxytaxa-4(20),11-diene13-one

Synonyms:

CAS Registry Number: 639045-07-1

InChI: InChI=1S/C22H32O7/c1-9-14(25)8-15(26)22(6)16(9)18(27)12-7-13(24)10(2)17(21(12,4)5)19(20(22)28)29-11(3)23/h12,14-16,18-20,25-28H,1,7-8H2,2-6H3/t12-,14-,15-,16-,18+,19+,20-,22+/m0/s1

InChIKey: InChIKey=FNQIPMBDHMNBAB-DKQNLBHISA-N

Formula: C22H32O7

Molecular Weight: 408.49

Exact Mass: 408.2148

NMR Solvent: CD3OD

MHz: 400.0

Calibration: TMS

NMR references: Nguyen, N.T., Banskota, A.H., Tezuka, Y., Nobukawa, T., and Kadota, S. (2003). Diterpenes and sesquiterpenes from the bark of Taxus yunnanensis. Phytochemistry 64, 1141–1147.

Species: Taxus

Notes: Relative stereochemistry not reported in NMR reference.

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1 2.23 br s 6.5
2 4.2 dd 5.4, 1
3 3.18 d 5.4
5 4.04 t 3.2
6 1.88 m
6 1.57 m
7 4.28 dd 11.7, 5.1
9 4.23 d 10
10 6.11 d 10
14 2.7 dd 19.8, 6.5
14 2.37 d 19.8
16 1.11 s
17 1.6 s
18 2.14 s
19 1.15 s
20 5.46 d 1.2
20 5.13 d 1.2
COMe 2.11 s

Carbon NMR Peaks

Position PPM
1 52.8
2 69
3 41.9
4 148.2
5 76
6 40.9
7 72.1
8 48.6
9 78.9
10 76.8
11 152.7
12 138.2
13 202.7
14 37.1
15 39.1
16 37.7
17 26.2
18 14.4
19 13.3
20 116.3
COMe 21.2
CO 172.1