Entry |
|
Name |
Lupeol acetate;
3-Acetyllupeol
|
Formula |
C32H52O2
|
Exact mass |
468.3967
|
Mol weight |
468.7541
|
Structure |
|
Brite |
Lipids [BR:br08002]
PR Prenol lipids
PR01 Isoprenoids
PR0106 C30 isoprenoids (triterpenes)
PR010614 Lupane triterpenoids
C08630 Lupeol acetate
Phytochemical compounds [BR:br08003]
Terpenoids
Triterpenoids (C30)
Lupanes
C08630 Lupeol acetate
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 34
1 C1z C 28.4279 -16.2727
2 C1y C 28.4396 -14.8962
3 C1z C 27.2380 -16.9492
4 C1x C 29.6003 -16.9667
5 C1a C 28.4162 -17.6375
6 C1y C 29.6294 -14.2371
7 C1x C 27.2613 -14.2080
8 C1y C 26.0600 -16.2550
9 C1x C 27.2380 -18.3198
10 C1a C 26.8078 -15.5668
11 C1x C 30.8599 -16.2901
12 C1z C 30.8834 -14.9312
13 C1x C 26.0716 -14.8785
14 C1z C 24.8643 -16.9316
15 C1x C 26.0483 -19.0023
16 C1a C 31.9857 -15.6078
17 C1y C 24.8584 -18.3082
18 C1x C 23.6803 -16.2493
19 C1a C 24.7765 -15.4211
20 C1z C 23.6803 -18.9964
21 C1x C 22.4787 -16.9316
22 C1y C 22.4787 -18.3082
23 C1a C 22.9745 -20.5303
24 C1a C 24.4905 -20.5291
25 O7a O 21.2890 -18.9906
26 C7a C 20.0933 -18.3024
27 C1a C 18.9034 -18.9847
28 O6a O 20.0873 -16.9259
29 C1x C 31.8394 -14.0196
30 C1x C 31.2895 -12.7621
31 C1y C 29.9236 -12.8965
32 C2c C 28.9710 -11.8238
33 C1a C 27.6071 -12.1040
34 C2a C 29.4119 -10.4983
BOND 38
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Down
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 3 10 1 #Up
10 4 11 1
11 6 12 1
12 7 13 1
13 8 14 1
14 9 15 1
15 12 16 1 #Up
16 14 17 1
17 14 18 1
18 14 19 1 #Up
19 17 20 1
20 18 21 1
21 20 22 1
22 20 23 1
23 20 24 1
24 22 25 1 #Up
25 25 26 1
26 26 27 1
27 26 28 2
28 8 13 1
29 11 12 1
30 15 17 1
31 21 22 1
32 12 29 1
33 29 30 1
34 30 31 1
35 6 31 1
36 31 32 1 #Down
37 32 33 1
38 32 34 2
|