(1S,13R)-19,20,24-trimethoxy-14,29-dimethyl-7,22-dioxa-14,29-diazaheptacyclo[21.6.2.2³,⁶.2⁸,¹¹.1¹³,¹⁷.0²⁶,³⁰.0²¹,³²]hexatriaconta-3,5,8,10,17,19,21(32),23,25,30,33,35-dodecaene
AlkaPlorer ID: AK089907
Synonym: None
IUPAC Name: (1S,13R)-19,20,24-trimethoxy-14,29-dimethyl-7,22-dioxa-14,29-diazaheptacyclo[21.6.2.23,6.28,11.113,17.026,30.021,32]hexatriaconta-3(36),4,6(35),8(34),9,11(33),17,19,21(32),23,25,30-dodecaene
Structure
SMILES: COC1=C2C=C3C(=C1)CCN(C)[C@H]3CC1=CC=C(C=C1)OC1=CC=C(C=C1)C[C@@H]1C3=C(C=C(OC)C(OC)=C3O2)CCN1C
InChI: InChI=1S/C37H40N2O5/c1-38-16-14-25-20-32(40-3)33-22-29(25)30(38)18-23-6-10-27(11-7-23)43-28-12-8-24(9-13-28)19-31-35-26(15-17-39(31)2)21-34(41-4)36(42-5)37(35)44-33/h6-13,20-22,30-31H,14-19H2,1-5H3/t30-,31+/m0/s1
InChIKey: CEXRTAGZMFHGHD-IOWSJCHKSA-N
Reference
A new quaternary alkaloid fromBerberis oblonga
PubChem CID: 163042492
LOTUS: LTS0261104
SuperNatural Ⅲ: SN0043902-01
NPASS: NPC133849
Source
Properties Information
Molecule Weight: 592.7360000000001
TPSA？: 52.63
MolLogP？: 7.153800000000008
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 9
Activities Information
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