COMPOUND: C15445
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Entry
C15445 Compound
Name
1'H-5alpha-Cholest-2-eno[3,2-b]indole
Formula
C33H49N
Exact mass
459.3865
Mol weight
459.7489
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396442
ChEBI:
79943
NIKKAJI:
J119.129B
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KCF data
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ATOM 34
1 C1y C 28.7000 -20.9300
2 C1y C 27.5800 -21.6300
3 C1z C 28.7000 -19.6000
4 C1x C 31.0800 -20.9300
5 C1y C 26.3900 -20.9300
6 C1x C 27.5800 -22.9600
7 C1y C 29.8900 -18.9000
8 C1x C 27.5800 -18.9000
9 C1a C 28.7000 -18.2700
10 C1x C 31.0800 -19.6000
11 C1z C 25.2000 -21.6300
12 C1x C 26.3900 -19.6000
13 C1x C 26.3900 -23.6600
14 C1c C 29.8900 -17.5700
15 C1y C 25.2000 -22.9600
16 C1x C 24.0800 -20.9300
17 C1a C 25.2000 -20.3000
18 C1b C 31.0800 -16.8700
19 C1a C 28.7000 -16.8700
20 C1x C 24.0800 -23.6600
21 C8y C 22.8900 -21.6300
22 C1b C 32.2700 -17.5700
23 C8y C 22.8900 -22.9600
24 C1b C 33.5300 -16.8700
25 C1c C 34.7200 -17.5700
26 C1a C 35.9100 -16.8700
27 C1a C 34.7200 -19.1800
28 C8y C 20.4651 -21.6300
29 C8y C 20.4651 -22.9600
30 N4x N 21.6776 -23.6600
31 C8x C 19.2527 -20.9300
32 C8x C 18.0403 -21.6300
33 C8x C 18.0403 -22.9600
34 C8x C 19.2527 -23.6600
BOND 39
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 3 9 1 #Up
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 7 14 1
14 11 15 1
15 11 16 1
16 11 17 1 #Up
17 14 18 1
18 14 19 1 #Down
19 15 20 1
20 16 21 1
21 18 22 1
22 20 23 1
23 22 24 1
24 24 25 1
25 25 26 1
26 25 27 1
27 7 10 1
28 8 12 1
29 13 15 1
30 21 23 2
31 21 28 1
32 28 29 2
33 29 30 1
34 23 30 1
35 28 31 1
36 31 32 2
37 32 33 1
38 33 34 2
39 29 34 1
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