(1S,14R)-6,20,25,36-tetramethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.2⁹,¹².1³,⁷.1¹⁴,¹⁸.0²⁷,³¹.0²²,³³]hexatriaconta-3,5,7(36),9,11,18,20,22(33),24,26,31,34-dodecaen-21-ol
AlkaPlorer ID: AK504569
Synonym: None
IUPAC Name: (1S,14S)-6,20,25,36-tetramethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaen-21-ol
Structure
SMILES: COC1=C2C=C3C(=C1)CCN(C)[C@H]3CC1=CC=C(OC)C(=C1OC)OC1=CC=C(C=C1)C[C@H]1C3=C(C=C(OC)C(O)=C3O2)CCN1C
InChI: InChI=1S/C38H42N2O7/c1-39-15-13-23-19-31(43-4)32-21-27(23)28(39)18-25-9-12-30(42-3)37(36(25)45-6)46-26-10-7-22(8-11-26)17-29-34-24(14-16-40(29)2)20-33(44-5)35(41)38(34)47-32/h7-12,19-21,28-29,41H,13-18H2,1-6H3/t28-,29-/m0/s1
InChIKey: QSSVQOBJATTZLK-VMPREFPWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Berberis microphylla | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 638.7610000000001
TPSA？: 82.09
MolLogP？: 6.868000000000008
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|