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(Q105163796)
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English
[9,13-Diacetyloxy-3a,5,11-trihydroxy-2,5,8,8-tetramethyl-10-(2-methylbut-2-enoyloxy)-12-methylidene-4-oxo-1,2,3,9,10,11,13,13a-octahydrocyclopenta[12]annulen-1-yl] 3-hydroperoxy-2-methylidenebutanoate
group of stereoisomers with the chemical formula C₃₄H₄₈O₁₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
jatrophane diterpenoid
1 reference
inferred from
jatrophane diterpenoid
mass
680.3044062160001
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₄H₄₈O₁₄
0 references
canonical SMILES
O=C(OC1C(O)C(=C)C(OC(=O)C)C2C(OC(=O)C(=C)C(OO)C)C(C)CC2(O)C(=O)C(O)(C=CC(C)(C)C1OC(=O)C)C)C(=CC)C
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Identifiers
InChI
InChI=1S/C34H48O14/c1-12-16(2)29(38)47-27-24(37)19(5)26(44-21(7)35)23-25(46-30(39)18(4)20(6)48-43)17(3)15-34(23,42)31(40)33(11,41)14-13-32(9,10)28(27)45-22(8)36/h12-14,17,20,23-28,37,41-43H,4-5,15H2,1-3,6-11H3
0 references
InChIKey
MHFTXADSUWHRMT-UHFFFAOYSA-N
0 references
PubChem CID
163095745
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MHFTXADSUWHRMT-UHFFFAOYSA-N
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