COMPOUND: C10552
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Entry
C10552 Compound
Name
4'-Demethyldeoxypodophyllotoxin;
(-)-4'-Demethyldeoxypodophyllotoxin;
(5R,5aR,8aR)-5-(4-Hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one
Formula
C21H20O7
Exact mass
384.1209
Mol weight
384.3793
Structure
Mol file
KCF file
DB search
Reaction
R11212
Enzyme
1.14.14.132
Brite
Phytochemical compounds [BR:
br08003
]
Phenylpropanoids
Lignans
Lignans
C10552 4'-Demethyldeoxypodophyllotoxin
BRITE hierarchy
Other DBs
CAS:
3590-93-0
PubChem:
12735
ChEBI:
1729
KNApSAcK:
C00002594
3DMET:
B03950
NIKKAJI:
J15.139D
LinkDB
All DBs
KCF data
Show
ATOM 28
1 C1y C 26.0400 -15.7482
2 C8y C 24.8357 -15.0416
3 C1y C 27.2562 -15.0590
4 C8y C 26.0343 -17.1453
5 C8y C 24.8416 -13.6443
6 C8x C 23.6312 -15.7425
7 C1y C 27.2621 -13.6560
8 C7x C 28.5892 -15.4913
9 C8x C 24.8183 -17.8299
10 C8x C 27.2387 -17.8416
11 C1x C 26.0517 -12.9538
12 C8x C 23.6312 -12.9480
13 C8y C 22.4210 -15.0416
14 C1x C 28.5950 -13.2283
15 O7x O 29.4127 -14.3627
16 O6a O 29.0155 -16.8242
17 C8y C 24.8823 -19.2272
18 C8y C 27.2328 -19.2389
19 C8y C 22.4210 -13.6443
20 O2x O 21.0881 -15.4738
21 C8y C 26.0166 -19.9338
22 O2a O 23.5904 -19.9164
23 O2a O 28.4432 -19.9455
24 O2x O 21.0941 -13.2050
25 C1x C 20.2646 -14.3393
26 O1a O 26.0750 -21.3309
27 C1a C 22.3743 -19.2097
28 C1a C 29.6592 -19.2563
BOND 32
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 2
13 7 14 1
14 8 15 1
15 8 16 2
16 9 17 1
17 10 18 2
18 12 19 2
19 13 20 1
20 17 21 2
21 17 22 1
22 18 23 1
23 19 24 1
24 20 25 1
25 21 26 1
26 22 27 1
27 23 28 1
28 7 11 1
29 13 19 1
30 14 15 1
31 18 21 1
32 24 25 1
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