7-(acetyloxy)-2-(butanoyloxy)-5,9-dimethyl-8-oxo-11-(prop-1-en-2-yl)-4-(propanoyloxy)-16-oxatetracyclo[7.5.2.0¹,¹?.0³,?]hexadec-12-en-14-yl pyridine-3-carboxylate
AlkaPlorer ID: AK263561
Synonym: None
IUPAC Name: (7-acetyloxy-2-butanoyloxy-5,9-dimethyl-8-oxo-4-propanoyloxy-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)CC)C4C2OC(=O)CCC)C13
InChI: InChI=1S/C35H43NO10/c1-8-11-26(39)45-30-27-28(44-25(38)9-2)20(5)16-35(27,46-21(6)37)32(41)33(7)29-23(19(3)4)13-14-24(34(29,30)18-42-33)43-31(40)22-12-10-15-36-17-22/h10,12-15,17,20,23-24,27-30H,3,8-9,11,16,18H2,1-2,4-7H3
InChIKey: MVADZRSXUXTRLD-UHFFFAOYSA-N
Reference
Four diterpene esters from Euphorbia myrsinites
PubChem CID: 74346974
LOTUS: LTS0041043
COCONUT: CNP0316624
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Euphorbia myrsinites | Euphorbia | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 637.7260000000003
TPSA？: 144.39000000000004
MolLogP？: 4.334900000000004
Number of H-Donors: 0
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|