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(Q105218856)
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English
5-[1-[2-(5-bromo-2,6,6-trimethyloxan-2-yl)-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-1-hydroxyethyl]-2-(3-methoxy-4-methylpent-4-enyl)-2-methyloxolan-3-ol
group of stereoisomers with the chemical formula C₃₁H₅₃BrO₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
squalane triterpenoid
1 reference
inferred from
squalane triterpenoid
mass
616.297466136
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₁H₅₃BrO₇
0 references
canonical SMILES
BrC1CCC(OC1(C)C)(C)C2OC3CCC(OC3(C)CC2)C(O)(C)C4OC(C)(CCC(OC)C(=C)C)C(O)C4
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Identifiers
InChI
InChI=1S/C31H53BrO7/c1-19(2)20(35-9)12-15-28(5)22(33)18-26(38-28)31(8,34)25-11-10-23-29(6,37-25)17-14-24(36-23)30(7)16-13-21(32)27(3,4)39-30/h20-26,33-34H,1,10-18H2,2-9H3
0 references
InChIKey
QDLARPIFFMRRKI-UHFFFAOYSA-N
0 references
PubChem CID
75066610
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QDLARPIFFMRRKI-UHFFFAOYSA-N
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