(21S)-2,13,27-trimethoxy-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.2¹⁶,¹⁹.1⁴,³⁰.1¹⁰,¹⁴.0³,⁸.0²⁵,³³.0²⁸,³²]heptatriaconta-1(30),2,4(34),7,10,12,14(37),16,18,25(33),26,28(32),35-tridecaene
AlkaPlorer ID: AK103255
Synonym: None
IUPAC Name: (21S)-2,13,27-trimethoxy-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),7,10(37),11,13,16,18,25,27,32,35-tridecaene
Structure
SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)C[C@@H]1NCCC3=CC(OC)=C4OC5=C(OC4=C31)C(OC)=C1C(=NCCC1=C5)C2
InChI: InChI=1S/C35H32N2O6/c1-38-26-9-6-20-15-25-30-22(11-13-37-25)18-29-33(34(30)40-3)43-35-31-21(17-28(39-2)32(35)42-29)10-12-36-24(31)14-19-4-7-23(8-5-19)41-27(26)16-20/h4-9,16-18,24,36H,10-15H2,1-3H3/t24-/m0/s1
InChIKey: RRLSZRJXBFELBU-DEOSSOPVSA-N
Source
Properties Information
Molecule Weight: 576.6490000000002
TPSA？: 79.77000000000001
MolLogP？: 6.733500000000007
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 9
Activities Information
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