COMPOUND: C15793
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Entry
C15793 Compound
Name
Typhasterol;
2-Deoxycastasterone;
(3alpha,5alpha,22R,23R,24S)-3,22,23-Trihydroxyergostan-6-one
Formula
C28H48O4
Exact mass
448.3553
Mol weight
448.6783
Structure
Mol file
KCF file
DB search
Reaction
R07458
R07469
R07470
R08841
Pathway
map00905
Brassinosteroid biosynthesis
map01100
Metabolic pathways
map01110
Biosynthesis of secondary metabolites
Enzyme
1.14.14.- 1.14.-.-
Brite
Lipids [BR:
br08002
]
ST Sterol lipids
ST01 Sterols
ST0103 Ergosterols and C24-methyl derivatives
C15793 Typhasterol
Phytochemical compounds [BR:
br08003
]
Terpenoids
Steroids
Ergostane
C15793 Typhasterol
BRITE hierarchy
Other DBs
CAS:
87734-68-7
PubChem:
47205118
ChEBI:
27173
LIPIDMAPS:
LMST01030130
KNApSAcK:
C00000185
NIKKAJI:
J146.606B
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All DBs
KCF data
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ATOM 32
1 C1x C 25.8689 -22.9190
2 C1y C 25.8689 -24.2906
3 C1x C 27.0568 -24.9761
4 C1y C 28.2447 -24.2906
5 C1z C 28.2447 -22.9190
6 C1x C 27.0568 -22.2333
7 C5x C 29.4322 -24.9761
8 C1x C 30.6198 -24.2906
9 C1y C 30.6198 -22.9190
10 C1y C 29.4322 -22.2333
11 C1y C 31.8078 -22.2333
12 C1z C 31.8078 -20.8618
13 C1x C 30.6198 -20.1758
14 C1x C 29.4322 -20.8618
15 C1x C 34.1833 -22.2333
16 C1x C 34.1833 -20.8618
17 C1y C 32.9955 -20.1758
18 C1c C 32.9955 -18.8047
19 C1c C 34.1872 -18.1168
20 C1c C 35.3601 -18.7942
21 C1c C 36.5223 -18.1232
22 C1c C 37.6899 -18.7976
23 C1a C 37.6899 -20.1755
24 C1a C 28.2447 -21.5474
25 C1a C 31.8078 -19.4907
26 C1a C 31.8078 -18.1190
27 C1a C 38.8775 -18.1117
28 O5x O 29.4326 -26.3965
29 O1a O 34.1874 -16.7071
30 O1a O 35.3605 -20.2203
31 O1a O 24.6801 -24.9772
32 C1a C 36.5223 -16.7232
BOND 35
1 1 2 1
2 2 3 1
3 3 4 1
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 15 16 1
18 16 17 1
19 12 17 1
20 11 15 1
21 17 18 1
22 18 19 1
23 19 20 1
24 20 21 1
25 21 22 1
26 22 23 1
27 5 24 1 #Up
28 12 25 1 #Up
29 18 26 1 #Down
30 22 27 1
31 7 28 2
32 19 29 1 #Up
33 20 30 1 #Up
34 2 31 1 #Down
35 21 32 1 #Up
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