Molecule

ID:4429

General Information
Structure
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Molecular Formula
C₅₁H₈₀O₆
Molecular Mass
789.1773
Exact Mass
788.59549028
Charge
0
InChI
InChI=1S/C51H80O6/c1-35-25-41(50(13,14)33-47(5,6)7)29-37(44(35)56-23-20-53)27-39-31-42(51(15,16)34-48(8,9)10)30-38(45(39)57-24-21-54)26-36-28-40(17-18-43(36)55-22-19-52)49(11,12)32-46(2,3)4/h17-18,25,28-31,52-54H,19-24,26-27,32-34H2,1-16H3
InChIKey
UTFVNNPSMPINLE-UHFFFAOYSA-N
Canonic Smiles
OCCOc1c(Cc2cc(ccc2OCCO)C(CC(C)(C)C)(C)C)cc(cc1Cc1cc(cc(c1OCCO)C)C(CC(C)(C)C)(C)C)C(CC(C)(C)C)(C)C
Isomeric Smiles
c1(c(cc(cc1Cc1c(c(cc(c1)C(C)(C)CC(C)(C)C)C)OCCO)C(C)(C)CC(C)(C)C)Cc1c(ccc(c1)C(C)(C)CC(C)(C)C)OCCO)OCCO
Calculated Properties
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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