COMPOUND: C20152
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Entry
C20152 Compound
Name
Taxusin;
Taxa-4(20),11-diene-5alpha,9alpha,10beta,13alpha-tetrayl tetraacetate
Formula
C28H40O8
Exact mass
504.2723
Mol weight
504.61
Structure
Mol file
KCF file
DB search
Reaction
R09868
R13019
Enzyme
1.14.14.182
1.14.14.183
Other DBs
CAS:
19605-80-2
PubChem:
135626612
KNApSAcK:
C00036221
KCF data
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ATOM 36
1 C1y C 19.1550 -16.5791
2 C2y C 20.2612 -17.2086
3 C1x C 18.3725 -17.4439
4 C1z C 19.1550 -15.3018
5 C1y C 21.3673 -16.5791
6 C2a C 20.2497 -18.5890
7 C1y C 15.9037 -17.4267
8 C1y C 17.4838 -14.2359
9 C1x C 20.2612 -14.6719
10 C1a C 19.1710 -13.8136
11 O7a O 22.4445 -17.3061
12 C1x C 21.3673 -15.3018
13 C1z C 15.9037 -16.1428
14 C1x C 14.7975 -18.0679
15 C1y C 14.8033 -14.2415
16 C2y C 14.7975 -15.5130
17 C1a C 16.9755 -15.1699
18 C1a C 16.9616 -16.6410
19 C1y C 13.6918 -17.4267
20 O7a O 13.6975 -13.6073
21 C2y C 13.6918 -16.1428
22 C1a C 12.5926 -15.5130
23 C7a C 23.6130 -16.7368
24 C1a C 24.7310 -17.3747
25 O6a O 23.5849 -15.4502
26 O7a O 17.8825 -12.8633
27 C7a C 16.9068 -11.8454
28 C7a C 13.6931 -12.1803
29 C1a C 12.4988 -11.4954
30 O6a O 14.9235 -11.4647
31 O6a O 15.5820 -12.1703
32 C1a C 17.3040 -10.4781
33 O7a O 12.4987 -18.1144
34 C7a C 11.3171 -17.4309
35 C1a C 10.1218 -18.1199
36 O6a O 11.3182 -16.0302
BOND 38
1 2 6 2
2 3 7 1
3 4 8 1
4 4 9 1
5 4 10 1 #Up
6 5 11 1 #Down
7 5 12 1
8 7 13 1
9 7 14 1
10 8 15 1
11 13 16 1
12 13 17 1
13 13 18 1
14 14 19 1
15 15 20 1 #Up
16 16 21 2
17 21 22 1
18 9 12 1
19 15 16 1
20 19 21 1
21 1 2 1
22 1 3 1
23 11 23 1
24 1 4 1
25 23 24 1
26 2 5 1
27 23 25 2
28 8 26 1 #Down
29 26 27 1
30 20 28 1
31 28 29 1
32 28 30 2
33 27 31 2
34 27 32 1
35 19 33 1 #Down
36 33 34 1
37 34 35 1
38 34 36 2
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Chemical substance (2)
PubChem (1)
KNApSAcK (1)
All databases (2)
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