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(Q105270762)
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English
Methyl 9-hydroxy-5a-(hydroxymethyl)-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
group of stereoisomers with the chemical formula C₃₁H₅₀O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
lupane
1 reference
inferred from
lupane
mass
486.37091008
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₁H₅₀O₄
0 references
canonical SMILES
O=C(OC)C12CCC(C(=C)C)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(CO)CC1
0 references
found in taxon
Peganum nigellastrum
1 reference
stated in
Alkaloids and phenylpropanoids from Peganum nigellastrum
Identifiers
InChI
InChI=1S/C31H50O4/c1-19(2)20-10-15-30(26(34)35-7)16-17-31(18-32)21(25(20)30)8-9-23-28(5)13-12-24(33)27(3,4)22(28)11-14-29(23,31)6/h20-25,32-33H,1,8-18H2,2-7H3
0 references
InChIKey
UEBDDJDCLTYODS-UHFFFAOYSA-N
0 references
PubChem CID
14707303
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UEBDDJDCLTYODS-UHFFFAOYSA-N
UniChem compound ID
69890709
1 reference
stated in
UniChem
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