| Entry |
|
|---|
| Name |
Pregnenolone succinate (USAN) |
|---|
| Formula |
C25H36O5
|
|---|
| Exact mass |
416.2563
|
|---|
| Mol weight |
416.5503
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Prohormone |
|---|
| Comment |
Non-hormonal sterol derivative
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 30
1 C1y C 21.4797 -16.2360
2 C1y C 22.6572 -16.9169
3 C1z C 20.3145 -16.9229
4 C1x C 21.4674 -14.8747
5 C1y C 23.8408 -16.2238
6 C1x C 22.6695 -18.2783
7 C2y C 20.3145 -18.2720
8 C1x C 19.1432 -16.2606
9 C1x C 22.6510 -14.1816
10 C1z C 23.8471 -14.8625
11 C1x C 26.2078 -16.2360
12 C2x C 21.4919 -18.9529
13 C1x C 19.1432 -18.9529
14 C1x C 17.9841 -16.9229
15 C1y C 25.0306 -14.1756
16 C1x C 26.2141 -14.8685
17 C1y C 17.9841 -18.2720
18 C5a C 25.0306 -12.8019
19 O7a O 16.8312 -18.9345
20 C1a C 23.8776 -11.9920
21 O5a O 26.1896 -11.9920
22 C1a C 20.3145 -15.5151
23 C1a C 23.8471 -13.4547
24 C7a C 15.6248 -18.2346
25 C1b C 14.4198 -18.9272
26 O6a O 15.6277 -16.8386
27 C1b C 13.2365 -18.2409
28 C6a C 12.0370 -18.9304
29 O6a O 10.8510 -18.2425
30 O6a O 12.0340 -20.3450
BOND 33
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 8 14 1
14 10 15 1
15 11 16 1
16 13 17 1
17 15 18 1 #Up
18 17 19 1 #Up
19 18 20 1
20 18 21 2
21 7 12 2
22 9 10 1
23 14 17 1
24 15 16 1
25 3 22 1 #Up
26 10 23 1 #Up
27 19 24 1
28 24 25 1
29 24 26 2
30 25 27 1
31 27 28 1
32 28 29 1
33 28 30 2
|
|---|
