COMPOUND: C15461
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Entry
C15461 Compound
Name
17beta-Acetyl-1,2,3,4,6alpha,7alpha,10,12,13,14alpha,16,17-dodecahydro-3beta-hydroxy-10beta,13beta-dimethyl-5beta,8beta-etheno-15H-cyclopenta[a]phenanthrene-6,7-dicarboxylic anhydride acetate
Formula
C27H32O6
Exact mass
452.2199
Mol weight
452.5394
Structure
Mol file
KCF file
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CAS:
25495-42-5
PubChem:
17396458
ChEBI:
79958
NIKKAJI:
J2.794.494I
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KCF data
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ATOM 33
1 C1x C 13.3700 -17.0100
2 C1y C 13.3700 -18.4100
3 C1x C 14.5824 -19.1100
4 C1z C 15.7949 -18.4100
5 C1z C 15.7949 -17.0100
6 C1x C 14.5824 -16.3100
7 C1y C 17.0073 -19.1100
8 C1y C 18.2197 -18.4100
9 C1z C 18.2197 -17.0100
10 C2y C 17.0073 -16.3100
11 C1y C 19.4322 -16.3100
12 C1z C 19.4322 -14.9100
13 C1x C 18.2197 -14.2100
14 C2x C 17.0073 -14.9100
15 C1x C 21.8570 -16.3100
16 C1x C 21.8570 -14.9100
17 C1y C 20.6446 -14.2100
18 C5a C 20.6446 -12.8100
19 O7a O 12.1576 -19.1100
20 C1a C 21.8611 -12.1077
21 O5a O 19.4362 -12.1123
22 C7a C 10.9621 -18.4196
23 C1a C 9.7747 -19.1051
24 O6a O 10.9620 -17.0103
25 C1a C 19.4322 -13.5100
26 C2x C 16.3260 -17.4890
27 C2x C 17.2397 -17.0100
28 C7x C 17.2984 -20.4794
29 O7x O 18.6907 -20.6257
30 C7x C 19.2601 -19.3468
31 O6a O 16.3425 -21.5406
32 O6a O 20.6250 -19.0565
33 C1a C 15.7949 -15.6100
BOND 38
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 2
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 17 18 1
22 2 19 1
23 18 20 1
24 18 21 2
25 19 22 1
26 22 23 1
27 22 24 2
28 12 25 1
29 4 26 1
30 9 27 1
31 26 27 2
32 7 28 1
33 28 29 1
34 29 30 1
35 8 30 1
36 28 31 2
37 30 32 2
38 5 33 1
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