COMPOUND: C19643
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Entry
C19643 Compound
Name
Scillarenin;
3beta,14-Dihydroxy-14beta-bufa-4,20,22-trienolide
Formula
C24H32O4
Exact mass
384.2301
Mol weight
384.51
Structure
Mol file
KCF file
DB search
Brite
Compounds with biological roles [BR:
br08001
]
Steroids
24-Carbon atoms
Bufanolide derivatives
C19643 Scillarenin
BRITE hierarchy
Other DBs
CAS:
465-22-5
PubChem:
135626115
KNApSAcK:
C00033368
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All DBs
KCF data
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ATOM 28
1 C1x C 9.6600 -18.3400
2 C1y C 9.6600 -19.7400
3 C2x C 10.8724 -20.4400
4 C2y C 12.0849 -19.7400
5 C1z C 12.0849 -18.3400
6 C1x C 10.8724 -17.6400
7 C1x C 13.2973 -20.4400
8 C1x C 14.5097 -19.7400
9 C1y C 14.5097 -18.3400
10 C1y C 13.2973 -17.6400
11 C1z C 15.7222 -17.6400
12 C1z C 15.7222 -16.2400
13 C1x C 14.5097 -15.5400
14 C1x C 13.2973 -16.2400
15 C1x C 18.1470 -17.6400
16 C1x C 18.1470 -16.2400
17 C1y C 16.9346 -15.5400
18 C1a C 12.0849 -16.9400
19 O1a O 15.7222 -19.0400
20 C1a C 15.7222 -14.8400
21 C8y C 16.9346 -14.1400
22 C8x C 18.1511 -13.4377
23 C8x C 18.1511 -12.0377
24 C8y C 16.9386 -11.3377
25 O7x O 15.7222 -12.0400
26 C8x C 15.7222 -13.4400
27 O6a O 16.9386 -9.9400
28 O1a O 8.4476 -20.4400
BOND 32
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 5 18 1 #Up
22 11 19 1 #Up
23 12 20 1 #Up
24 17 21 1
25 21 22 1
26 22 23 2
27 23 24 1
28 24 25 1
29 25 26 1
30 21 26 2
31 24 27 2
32 2 28 1 #Up
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