COMPOUND: C08909
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Entry
C08909 Compound
Name
Ruscogenin;
(1beta,3beta,25R)-Spirost-5-ene-1,3-diol
Formula
C27H42O4
Exact mass
430.3083
Mol weight
430.62
Structure
Mol file
KCF file
DB search
Remark
Same as:
D08498
Brite
Lipids [BR:
br08002
]
ST Sterol lipids
ST01 Sterols
ST0108 Spirostanols and derivatives
C08909 Ruscogenin
Phytochemical compounds [BR:
br08003
]
Terpenoids
Steroids
Spirostan
C08909 Ruscogenin
BRITE hierarchy
Other DBs
CAS:
472-11-7
PubChem:
11101
ChEBI:
8913
LIPIDMAPS:
LMST01080038
KNApSAcK:
C00003587
3DMET:
B02515
NIKKAJI:
J5.950A
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All DBs
KCF data
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ATOM 31
1 C1y C 27.8265 -17.0791
2 C1z C 26.6586 -17.7390
3 C1y C 28.9943 -17.7623
4 C1y C 27.8323 -15.7303
5 C1y C 26.6411 -19.0762
6 C1x C 25.4908 -17.0559
7 C1a C 26.6469 -16.3843
8 O2x O 30.1505 -17.0850
9 C1x C 28.9592 -19.1054
10 C1z C 30.1563 -15.7360
11 C1a C 26.8746 -14.7727
12 C1y C 25.4732 -19.7419
13 C1x C 24.3229 -17.7156
14 C1x C 31.3183 -16.4017
15 O2x O 30.1563 -14.3813
16 C1y C 24.3112 -19.0646
17 C1x C 25.4732 -21.0907
18 C1x C 32.4862 -15.7360
19 C1x C 31.3242 -13.7157
20 C1z C 23.0675 -19.7360
21 C2x C 24.2995 -21.7564
22 C1y C 32.4862 -14.3873
23 C2y C 23.1318 -21.0849
24 C1y C 21.9755 -19.0586
25 C1a C 23.1258 -18.3813
26 C1a C 33.6541 -13.7157
27 C1x C 21.9755 -21.7506
28 C1x C 20.8076 -19.7360
29 O1a O 21.9638 -17.7099
30 C1y C 20.8076 -21.0849
31 O1a O 19.6398 -21.7506
BOND 36
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 2 7 1 #Up
7 3 8 1
8 3 9 1
9 4 10 1
10 4 11 1 #Down
11 5 12 1
12 6 13 1
13 10 14 1
14 10 15 1 #Down
15 12 16 1
16 12 17 1
17 14 18 1
18 15 19 1
19 16 20 1
20 17 21 1
21 18 22 1
22 20 23 1
23 20 24 1
24 20 25 1 #Up
25 22 26 1 #Down
26 23 27 1
27 24 28 1
28 24 29 1 #Up
29 27 30 1
30 30 31 1 #Up
31 5 9 1
32 8 10 1
33 13 16 1
34 19 22 1
35 21 23 2
36 28 30 1
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