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(Q105278740)
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English
[3-ethenyl-3,4a,7,10a-tetramethyl-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromen-8-yl] 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
group of stereoisomers with the chemical formula C₃₇H₅₄O₁₂
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Statements
instance of
group of stereoisomers
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subclass of
labdanes
1 reference
inferred from
labdanes
mass
690.3615271680002
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₇H₅₄O₁₂
0 references
canonical SMILES
O=C(OC1CCC2(C)C3CCC(OC3(C)CCC2C1(C)COC4OC(CO)C(O)C(O)C4O)(C=C)C)C=CC5=CC(OC)=C(O)C(OC)=C5
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Identifiers
InChI
InChI=1S/C37H54O12/c1-8-34(2)14-11-26-35(3)15-13-27(48-28(39)10-9-21-17-22(44-6)29(40)23(18-21)45-7)36(4,25(35)12-16-37(26,5)49-34)20-46-33-32(43)31(42)30(41)24(19-38)47-33/h8-10,17-18,24-27,30-33,38,40-43H,1,11-16,19-20H2,2-7H3
0 references
InChIKey
UTFOKRYLFYXSFK-UHFFFAOYSA-N
0 references
PubChem CID
162988296
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UTFOKRYLFYXSFK-UHFFFAOYSA-N
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