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(Q105292596)
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English
5-(Diaminomethylideneamino)-2-[[4-[[14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoyl]amino]pentanoic acid
group of stereoisomers with the chemical formula C₃₄H₅₀N₄O₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
bufanolide
1 reference
inferred from
bufanolide
mass
642.3628645600002
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₄H₅₀N₄O₈
0 references
canonical SMILES
CC12CCC(OC(=O)CCC(=O)NC(CCCNC(=N)N)C(=O)O)CC1CCC1C2CCC2(C)C(c3ccc(=O)oc3)CCC12O
0 references
Identifiers
InChI
InChI=1S/C34H50N4O8/c1-32-14-11-22(46-29(41)10-8-27(39)38-26(30(42)43)4-3-17-37-31(35)36)18-21(32)6-7-25-24(32)12-15-33(2)23(13-16-34(25,33)44)20-5-9-28(40)45-19-20/h5,9,19,21-26,44H,3-4,6-8,10-18H2,1-2H3,(H,38,39)(H,42,43)(H4,35,36,37)
0 references
InChIKey
VSYAVGJIENUTGR-UHFFFAOYSA-N
0 references
PubChem CID
162938823
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VSYAVGJIENUTGR-UHFFFAOYSA-N
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