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(Q105222778)
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English
2-[6a-(hydroxymethyl)-2-(1-methoxy-2-methyl-1-oxopropan-2-yl)-1,4a,4b,9,9-pentamethyl-3,4,5,6,7,8,10,10a,12,12a-decahydro-2H-chrysen-1-yl]acetic acid
group of stereoisomers with the chemical formula C₃₁H₅₀O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
502.3658247
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₁H₅₀O₅
0 references
canonical SMILES
O=C(O)CC1(C)C(CCC2(C)C1CC=C3C4CC(C)(C)CCC4(CO)CCC32C)C(C(=O)OC)(C)C
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Identifiers
InChI
InChI=1S/C31H50O5/c1-26(2)13-15-31(19-32)16-14-29(6)20(21(31)17-26)9-10-23-28(5,18-24(33)34)22(11-12-30(23,29)7)27(3,4)25(35)36-8/h9,21-23,32H,10-19H2,1-8H3,(H,33,34)
0 references
InChIKey
QJNRMJMAICGBMV-UHFFFAOYSA-N
0 references
PubChem CID
74960354
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QJNRMJMAICGBMV-UHFFFAOYSA-N
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