methyl (1S,3S,4R,10R,14R,15S,17S,18R,19S)-17-(acetyloxy)-18-[(acetyloxy)methyl]-19-hydroxy-14-methyl-12-azahexacyclo[10.6.1.1¹,⁴.0¹⁰,¹⁸.0¹⁵,¹⁹.0⁷,²⁰]icos-7(20)-ene-3-carboxylate
AlkaPlorer ID: AK105528
Synonym: None
IUPAC Name: methyl (1S,3S,4R,10R,14R,15S,17S,18R,19S)-17-acetyloxy-18-(acetyloxymethyl)-19-hydroxy-14-methyl-12-azahexacyclo[10.6.1.11,4.010,18.015,19.07,20]icos-7(20)-ene-3-carboxylate
Structure
SMILES: COC(=O)[C@H]1C[C@]23C4=C(CC[C@H]5CN6C[C@H](C)[C@H](C[C@H](OC(C)=O)[C@]52COC(C)=O)[C@@]63O)CC[C@@H]41
InChI: InChI=1S/C27H37NO7/c1-14-11-28-12-18-7-5-17-6-8-19-20(24(31)33-4)10-26(23(17)19)25(18,13-34-15(2)29)22(35-16(3)30)9-21(14)27(26,28)32/h14,18-22,32H,5-13H2,1-4H3/t14-,18-,19+,20-,21-,22-,25-,26-,27-/m0/s1
InChIKey: PCARXYHNISKVGD-OTQQQCCVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Daphniphyllum macropodum | Daphniphyllum | Daphniphyllaceae | Saxifragales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 487.5930000000004
TPSA？: 102.37
MolLogP？: 2.4373000000000005
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|