UNPD132632
AlkaPlorer ID: AK385493
Synonym: None
IUPAC Name: dimethyl (13Z)-13-ethylidene-3',8,26-trimethylspiro[22-oxa-8,15,26,33-tetrazaundecacyclo[28.5.1.112,18.01,27.02,25.04,23.05,21.07,19.09,15.09,18.028,33]heptatriaconta-2(25),3,5,7(19),20,23-hexaene-31,2'-oxirane]-36,37-dicarboxylate
Structure
SMILES: C/C=C1\CN2CCC34C5=CC6=C(C=C5N(C)C23CCC1C4C(=O)OC)C1=CC2=C(C=C1O6)N(C)C1C3CC4C(C(=O)OC)C21CCN3CC41OC1C
InChI: InChI=1S/C42H48N4O6/c1-7-22-19-46-13-11-40-27-17-32-25(15-30(27)44(4)42(40,46)9-8-23(22)34(40)37(47)49-5)24-14-26-29(18-33(24)51-32)43(3)36-31-16-28-35(38(48)50-6)39(26,36)10-12-45(31)20-41(28)21(2)52-41/h7,14-15,17-18,21,23,28,31,34-36H,8-13,16,19-20H2,1-6H3/b22-7+
InChIKey: GCALWROHTSRPCZ-QPJQQBGISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Petchia ceylanica | Petchia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 704.8679999999999
TPSA？: 91.23
MolLogP？: 4.945400000000005
Number of H-Donors: 0
Number of H-Acceptors: 10
RingCount: 13
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|