5-(S)-(2,4-dimethoxyphenyl)({4-[(4-methylphenyl)methoxy]phenyl})methyl 1-prop-2-en-1-yl (2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanedioate
AlkaPlorer ID: AK335627
Synonym: None
IUPAC Name: 5-O-[(2,4-dimethoxyphenyl)-[4-[(4-methylphenyl)methoxy]phenyl]methyl] 1-O-prop-2-enyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanedioate
Structure
SMILES: C=CCOC(=O)C(CCC(=O)OC(C1=CC=C(OCC2=CC=C(C)C=C2)C=C1)C1=CC=C(OC)C=C1OC)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C21
InChI: InChI=1S/C46H45NO9/c1-5-26-53-45(49)41(47-46(50)55-29-40-37-12-8-6-10-35(37)36-11-7-9-13-38(36)40)24-25-43(48)56-44(39-23-22-34(51-3)27-42(39)52-4)32-18-20-33(21-19-32)54-28-31-16-14-30(2)15-17-31/h5-23,27,40-41,44H,1,24-26,28-29H2,2-4H3,(H,47,50)
InChIKey: AQZNVOOUMNAGID-UHFFFAOYSA-N
Reference
7′,8′-Dihydroobolactone, a typanocidal α-pyrone from the rainforest tree Cryptocarya obovata
PubChem CID: 163118458
COCONUT: CNP0438041.1
Source
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Properties Information
Molecule Weight: 755.8640000000001
TPSA？: 118.62000000000002
MolLogP？: 8.640520000000004
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 6
Activities Information
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