COMPOUND: C15379
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Entry
C15379 Compound
Name
3beta-Hydroxylanostane-7,11-dione acetate
Formula
C32H52O4
Exact mass
500.3866
Mol weight
500.7529
Structure
Mol file
KCF file
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Other DBs
PubChem:
17396376
ChEBI:
79880
NIKKAJI:
J130.264G
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KCF data
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ATOM 36
1 C1y C 24.0749 -20.0897
2 C1z C 22.8795 -20.7662
3 C1y C 25.2643 -20.7778
4 C5x C 24.0865 -18.7078
5 C1y C 22.8736 -22.1423
6 C1x C 21.6898 -20.0840
7 C1z C 26.4540 -20.1014
8 C5x C 25.2643 -22.1540
9 C1x C 25.2877 -18.0255
10 C1z C 21.6898 -22.8421
11 C1x C 24.0632 -22.8480
12 C1x C 20.4944 -20.7662
13 C1z C 26.4714 -18.7312
14 C1x C 28.8388 -20.0607
15 C1a C 26.4423 -21.5009
16 C1y C 20.4944 -22.1423
17 C1a C 21.1244 -24.2358
18 C1a C 22.3664 -24.2358
19 C1y C 27.6785 -18.0488
20 C1a C 26.4657 -17.3491
21 C1x C 28.8564 -18.7603
22 C1c C 27.6727 -16.6669
23 C1b C 28.8564 -15.9846
24 C1a C 26.4657 -15.9905
25 C1b C 30.0518 -16.6610
26 C1b C 31.2355 -15.9788
27 C1c C 32.4250 -16.6553
28 C1a C 32.4250 -18.0255
29 C1a C 33.6263 -15.9672
30 C1a C 22.8795 -19.3662
31 O5x O 26.4662 -22.8473
32 O5x O 22.8669 -17.9912
33 O7a O 19.3012 -22.8262
34 C7a C 18.1024 -22.1290
35 C1a C 16.9124 -22.8110
36 O6a O 18.1068 -20.7202
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 4 9 1
9 5 10 1
10 5 11 1
11 6 12 1
12 7 13 1
13 7 14 1
14 7 15 1 #Down
15 10 16 1
16 10 17 1
17 10 18 1
18 13 19 1
19 13 20 1 #Up
20 14 21 1
21 19 22 1
22 22 23 1
23 22 24 1 #Down
24 23 25 1
25 25 26 1
26 26 27 1
27 27 28 1
28 27 29 1
29 8 11 1
30 9 13 1
31 12 16 1
32 19 21 1
33 2 30 1 #Up
34 8 31 2
35 4 32 2
36 16 33 1 #Up
37 33 34 1
38 34 35 1
39 34 36 2
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