COMPOUND: C14624
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Entry
C14624 Compound
Name
Androstane-3,17-diol dipropionate;
5alpha-Androstane-3alpha,17beta-diol dipropionate
Formula
C25H40O4
Exact mass
404.2927
Mol weight
404.5827
Structure
Mol file
KCF file
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CAS:
4350-14-5
PubChem:
17395624
ChEBI:
34537
NIKKAJI:
J2.788.574H
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KCF data
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ATOM 29
1 C1x C 18.6472 -24.4292
2 C1y C 18.6472 -25.7894
3 C1x C 19.8251 -26.4694
4 C1y C 21.0030 -25.7894
5 C1z C 21.0030 -24.4292
6 C1x C 19.8251 -23.7492
7 C1x C 22.1809 -26.4694
8 C1x C 23.3588 -25.7894
9 C1y C 23.3588 -24.4292
10 C1y C 22.1809 -23.7492
11 C1y C 24.5367 -23.7492
12 C1z C 24.5367 -22.3891
13 C1x C 23.3588 -21.7091
14 C1x C 22.1809 -22.3891
15 C1x C 26.8924 -23.7492
16 C1x C 26.8924 -22.3891
17 C1y C 25.7145 -21.7091
18 C1a C 24.5637 -21.0291
19 O7a O 25.7197 -20.3490
20 O7a O 17.4277 -26.4938
21 C1a C 21.0000 -23.0300
22 C7a C 26.9034 -19.6717
23 C1b C 28.0948 -20.3659
24 C1a C 29.2895 -19.6823
25 C7a C 16.2024 -25.7870
26 C1b C 14.9784 -26.4949
27 C1a C 13.7517 -25.7882
28 O6a O 16.2022 -24.3604
29 O6a O 26.9090 -18.2703
BOND 32
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 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 12 18 1 #Up
22 17 19 1 #Up
23 2 20 1 #Down
24 5 21 1 #Up
25 19 22 1
26 22 23 1
27 23 24 1
28 20 25 1
29 25 26 1
30 26 27 1
31 25 28 2
32 22 29 2
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