(5R,7S)-1-[3-(aminomethoxy)-4-hydroxyphenyl]-7-{3,4-dihydroxy-5-[(3-hydroxyphenyl)methoxy]phenyl}-5-hydroxy-8-(1-phenylcyclohexyl)octan-3-one
AlkaPlorer ID: AK218372
Synonym: None
IUPAC Name: (5R,7S)-1-[3-(aminomethoxy)-4-hydroxyphenyl]-7-[3,4-dihydroxy-5-[(3-hydroxyphenyl)methoxy]phenyl]-5-hydroxy-8-(1-phenylcyclohexyl)octan-3-one
Structure
SMILES: NCOC1=CC(CCC(=O)C[C@H](O)C[C@H](CC2(C3=CC=CC=C3)CCCCC2)C2=CC(O)=C(O)C(OCC3=CC=CC(O)=C3)=C2)=CC=C1O
InChI: InChI=1S/C40H47NO8/c41-26-49-37-19-27(13-15-35(37)45)12-14-33(43)23-34(44)20-30(24-40(16-5-2-6-17-40)31-9-3-1-4-10-31)29-21-36(46)39(47)38(22-29)48-25-28-8-7-11-32(42)18-28/h1,3-4,7-11,13,15,18-19,21-22,30,34,42,44-47H,2,5-6,12,14,16-17,20,23-26,41H2/t30-,34-/m1/s1
InChIKey: OQTCXYITHDKUEN-KAODMTDESA-N
Reference
Characterisation of pyrrolizidine alkaloids by gas, thin-layer and paper chromatography
PubChem CID: 163068442
SuperNatural Ⅲ: SN0272754-01
Source
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Properties Information
Molecule Weight: 669.8150000000005
TPSA？: 162.7
MolLogP？: 7.1018000000000105
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 5
Activities Information
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