Entry |
|
Name |
alpha-Spinasterol;
Spinasterol
|
Formula |
C29H48O
|
Exact mass |
412.3705
|
Mol weight |
412.6908
|
Structure |
|
Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST01 Sterols
ST0104 Stigmasterols and C24-ethyl derivatives
C08840 alpha-Spinasterol
Phytochemical compounds [BR:br08003]
Terpenoids
Steroids
Stigmastane
C08840 alpha-Spinasterol
|
Other DBs |
|
KCF data |
ATOM 30
1 C2y C 21.5850 -20.7638
2 C1y C 22.7672 -20.0880
3 C1y C 20.3969 -20.0766
4 C2x C 21.5850 -22.1324
5 C1z C 22.7846 -18.7194
6 C1x C 25.1318 -20.1113
7 C1z C 19.2087 -20.7521
8 C1x C 20.3384 -18.7078
9 C1x C 20.3853 -22.8196
10 C1y C 23.9786 -18.0555
11 C1x C 21.6083 -18.0265
12 C1a C 22.7732 -17.3449
13 C1x C 25.1494 -18.7485
14 C1y C 19.2030 -22.1265
15 C1x C 18.0207 -20.0706
16 C1a C 19.1971 -19.3776
17 C1c C 24.0369 -16.6869
18 C1x C 18.0207 -22.8137
19 C1x C 16.8325 -20.7521
20 C2b C 25.1435 -15.9938
21 C1a C 22.7732 -15.9997
22 C1y C 16.8325 -22.1265
23 C2b C 26.3374 -16.6810
24 O1a O 15.6502 -22.8137
25 C1c C 27.5140 -15.9880
26 C1c C 28.6961 -16.6693
27 C1b C 27.5081 -14.6135
28 C1a C 28.6961 -18.0381
29 C1a C 29.8901 -15.9764
30 C1a C 26.2967 -13.9203
BOND 33
1 1 2 1
2 1 3 1
3 1 4 2
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 5 12 1 #Up
12 6 13 1
13 7 14 1
14 7 15 1
15 7 16 1 #Up
16 10 17 1
17 14 18 1
18 15 19 1
19 17 20 1
20 17 21 1 #Down
21 18 22 1
22 20 23 2
23 22 24 1 #Up
24 23 25 1
25 25 26 1
26 25 27 1 #Up
27 26 28 1
28 26 29 1
29 27 30 1
30 8 11 1
31 9 14 1
32 10 13 1
33 19 22 1
|