(1S,2R,3S,4S,5S,7R,9S,10R,11S,14R)-7-(acetyloxy)-2,4-bis(butanoyloxy)-5,9-dimethyl-8-oxo-11-(prop-1-en-2-yl)-16-oxatetracyclo[7.5.2.0¹,¹⁰.0³,⁷]hexadec-12-en-14-yl pyridine-3-carboxylate
AlkaPlorer ID: AK478772
Synonym: None
IUPAC Name: [7-acetyloxy-2,4-di(butanoyloxy)-5,9-dimethyl-8-oxo-11-prop-1-en-2-yl-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-14-yl] pyridine-3-carboxylate
Structure
SMILES: C=C(C)C1C=CC(OC(=O)C2=CC=CN=C2)C23COC(C)(C(=O)C4(OC(C)=O)CC(C)C(OC(=O)CCC)C4C2OC(=O)CCC)C13
InChI: InChI=1S/C36H45NO10/c1-8-11-26(39)45-29-21(5)17-36(47-22(6)38)28(29)31(46-27(40)12-9-2)35-19-43-34(7,33(36)42)30(35)24(20(3)4)14-15-25(35)44-32(41)23-13-10-16-37-18-23/h10,13-16,18,21,24-25,28-31H,3,8-9,11-12,17,19H2,1-2,4-7H3
InChIKey: OKKRJJBVQCDYGQ-UHFFFAOYSA-N
Reference
Four diterpene esters from Euphorbia myrsinites
PubChem CID: 74347006
LOTUS: LTS0026171
COCONUT: CNP0272757.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Euphorbia myrsinites | Euphorbia | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 651.7530000000003
TPSA？: 144.39000000000004
MolLogP？: 4.725000000000005
Number of H-Donors: 0
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|