UNPD129573
AlkaPlorer ID: AK393070
Synonym: None
IUPAC Name: methyl (1R,13R,14R,17S,22R,30S,33R,34E,39R)-34-ethylidene-17-[(1R)-1-hydroxyethyl]-9,29-dimethyl-15-oxo-5,16-dioxa-9,19,29,36-tetrazaundecacyclo[31.5.1.01,30.02,28.04,26.06,25.08,23.010,22.013,17.014,22.030,36]nonatriaconta-2(28),3,6,8(23),24,26-hexaene-39-carboxylate
Structure
SMILES: C/C=C1/CN2CC[C@@]34C5=CC6=C(C=C5N(C)[C@]23CC[C@@H]1[C@H]4C(=O)OC)C1=CC2=C(C=C1O6)N(C)C1CC[C@@H]3[C@H]4C(=O)O[C@]3([C@@H](C)O)CNCC[C@@]214
InChI: InChI=1S/C41H48N4O6/c1-6-22-19-45-14-12-39-28-17-31-25(16-30(28)44(4)41(39,45)10-9-23(22)34(39)36(47)49-5)24-15-27-29(18-32(24)50-31)43(3)33-8-7-26-35-37(48)51-40(26,21(2)46)20-42-13-11-38(27,33)35/h6,15-18,21,23,26,33-35,42,46H,7-14,19-20H2,1-5H3/b22-6-/t21-,23+,26-,33?,34+,35+,38-,39+,40+,41-/m1/s1
InChIKey: GTYVOLSFKIRKHL-FKVJBAGISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Petchia ceylanica | Petchia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 692.8570000000001
TPSA？: 107.72
MolLogP？: 4.586800000000004
Number of H-Donors: 2
Number of H-Acceptors: 10
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|