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(Q105005885)
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English
1-[4-(3,3-dimethyloxiran-2-yl)-4-hydroxybutan-2-yl]-10-hydroxy-3a,3b,6,6,9a-pentamethyl-2H,3H,4H,5H,5aH,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-one
group of stereoisomers with the chemical formula C₃₀H₄₈O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
protostane/dammarane triterpenoid
1 reference
inferred from
protostane/dammarane triterpenoid
mass
472.3552600159999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₀H₄₈O₄
0 references
canonical SMILES
O=C1CCC2(C)C(CCC3(C)C2C(O)CC4=C(CCC43C)C(C)CC(O)C5OC5(C)C)C1(C)C
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Identifiers
InChI
InChI=1S/C30H48O4/c1-17(15-21(32)25-27(4,5)34-25)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h17,20-22,24-25,31-32H,9-16H2,1-8H3
0 references
InChIKey
GBJKHDVRXAVITG-UHFFFAOYSA-N
0 references
PubChem CID
15558617
1 reference
matched by identifier from
InChIKey
InChIKey
GBJKHDVRXAVITG-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0248141
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GBJKHDVRXAVITG-UHFFFAOYSA-N
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