COMPOUND: C15274
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Entry
C15274 Compound
Name
Allobetulin;
Allobetulinol;
19beta,28-Epoxy-18alpha-oleanan-3beta-ol
Formula
C30H50O2
Exact mass
442.3811
Mol weight
442.7168
Structure
Mol file
KCF file
DB search
Brite
Phytochemical compounds [BR:
br08003
]
Terpenoids
Triterpenoids (C30)
Dammarenes
C15274 Allobetulinol
BRITE hierarchy
Other DBs
CAS:
1617-72-7
PubChem:
17396271
ChEBI:
181939
79776
KNApSAcK:
C00043263
NIKKAJI:
J14.387A
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KCF data
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ATOM 32
1 C1z C 29.4890 -19.2065
2 C1z C 30.7028 -18.5063
3 C1y C 28.2812 -18.4946
4 C1x C 29.4890 -20.6068
5 C1a C 29.4774 -18.0802
6 C1y C 30.7202 -17.1117
7 C1x C 31.8990 -19.2240
8 C1a C 30.7611 -19.9066
9 C1z C 27.0676 -19.1949
10 C1x C 28.2929 -17.0942
11 C1x C 28.2695 -21.3012
12 C1y C 31.9340 -16.4348
13 C1x C 29.5124 -16.4057
14 C1x C 33.1126 -18.5354
15 C1y C 27.0559 -20.5951
16 C1x C 25.8540 -18.4887
17 C1a C 27.0502 -17.7885
18 C1z C 33.1302 -17.1467
19 C1y C 31.8874 -15.0403
20 C1z C 25.8540 -21.2953
21 C1x C 24.6345 -19.1949
22 C1x C 34.3495 -16.4698
23 C1z C 33.1710 -14.3575
24 C1y C 24.6345 -20.5951
25 C1a C 25.0021 -22.6491
26 C1a C 26.6941 -22.6490
27 C1x C 34.3671 -15.0753
28 C1a C 34.0752 -13.1380
29 C1a C 32.1791 -13.1380
30 O1a O 23.4207 -21.2953
31 O2x O 33.2397 -15.4027
32 C1x C 33.5897 -16.1951
BOND 37
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 2 8 1 #Down
8 3 9 1
9 3 10 1
10 4 11 1
11 6 12 1
12 6 13 1
13 7 14 1
14 9 15 1
15 9 16 1
16 9 17 1 #Up
17 12 18 1
18 12 19 1
19 15 20 1
20 16 21 1
21 18 22 1
22 19 23 1
23 20 24 1
24 20 25 1
25 20 26 1
26 22 27 1
27 23 28 1
28 23 29 1
29 24 30 1 #Up
30 10 13 1
31 11 15 1
32 14 18 1
33 21 24 1
34 23 27 1
35 19 31 1 #Up
36 31 32 1
37 18 32 1 #Up
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