None
AlkaPlorer ID: AK565516
Synonym: None
IUPAC Name: dimethyl (1S,12R,13E,30R,36R,37R)-13-ethylidene-3',8,26-trimethylspiro[22-oxa-8,15,26,33-tetrazaundecacyclo[28.5.1.112,18.01,27.02,25.04,23.05,21.07,19.09,15.09,18.027,33]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)C23CC[C@@H]1[C@H]4C(=O)OC)C1=CC2=C(C=C1O6)N(C)C13CC[C@@H]4[C@@H](C(=O)OC)[C@@]21CCN3CC41OC1C
InChI: InChI=1S/C42H48N4O6/c1-7-23-20-45-14-12-38-29-18-32-26(17-30(29)43(3)41(38,45)10-8-24(23)34(38)36(47)49-5)25-16-28-31(19-33(25)51-32)44(4)42-11-9-27-35(37(48)50-6)39(28,42)13-15-46(42)21-40(27)22(2)52-40/h7,16-19,22,24,27,34-35H,8-15,20-21H2,1-6H3/b23-7-/t22?,24-,27+,34-,35-,38?,39+,40?,41?,42?/m0/s1
InChIKey: WYUJYVGPIXGDKL-NCXJUADJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Petchia ceylanica | Petchia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 704.868
TPSA？: 91.23
MolLogP？: 5.294600000000005
Number of H-Donors: 0
Number of H-Acceptors: 10
RingCount: 14
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|