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(Q105224352)
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English
QNDVLZJODHBUFM-UHFFFAOYSA-N
group of stereoisomers with the chemical formula C₄₄H₆₈O₁₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic 1,7-dioxaspiro(5.5)undecane
1 reference
inferred from
biogenic 1,7-dioxaspiro(5.5)undecane
mass
804.465992236
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₄₄H₆₈O₁₃
0 references
canonical SMILES
O=C(O)C(O)(C)CC1OC2(OC(CC(=C2)C)C(C=CC3OC4(OC5C(O)C(=C)C(OC5CC4)C(O)CC(C)C6OC7(OCCCC7)CCC6C)CC3)C)C(O)CC1
0 references
Identifiers
InChI
InChI=1S/C44H68O13/c1-25-21-34(55-44(23-25)35(46)12-11-31(54-44)24-41(6,50)40(48)49)26(2)9-10-30-14-18-43(53-30)19-15-33-39(57-43)36(47)29(5)38(52-33)32(45)22-28(4)37-27(3)13-17-42(56-37)16-7-8-20-51-42/h9-10,23,26-28,30-39,45-47,50H,5,7-8,11-22,24H2,1-4,6H3,(H,48,49)
0 references
InChIKey
QNDVLZJODHBUFM-UHFFFAOYSA-N
0 references
PubChem CID
4584
2 references
stated in
PubChem
inferred from
InChIKey
retrieved
15 September 2022
matched by identifier from
InChIKey
InChIKey
QNDVLZJODHBUFM-UHFFFAOYSA-N
UniChem compound ID
61257993
1 reference
stated in
UniChem
Probes And Drugs ID
PD075581
0 references
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