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(Q105166571)
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English
(3,14-dihydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,6,7,8,9,10,11,12,12a,14,14a-dodecahydro-1H-picen-2-yl) acetate
group of stereoisomers with the chemical formula C₃₂H₅₀O₄
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Statements
instance of
group of stereoisomers
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subclass of
taraxastane / ursane triterpenoid
1 reference
inferred from
taraxastane / ursane triterpenoid
mass
498.37091008
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₂H₅₀O₄
0 references
canonical SMILES
O=C(OC1CC2(C(=CCC3(C)C2C(O)C=C4C5C(C)C(C)CCC5(C)CCC43C)C(C)(C)C1O)C)C
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Identifiers
InChI
InChI=1S/C32H50O4/c1-18-10-12-29(6)14-15-31(8)21(25(29)19(18)2)16-22(34)26-30(7)17-23(36-20(3)33)27(35)28(4,5)24(30)11-13-32(26,31)9/h11,16,18-19,22-23,25-27,34-35H,10,12-15,17H2,1-9H3
0 references
InChIKey
MLEVHKMQNKPYKX-UHFFFAOYSA-N
0 references
PubChem CID
73819955
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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