(1R,2R,3R,4S,5S,7R,9R,10R,11S,14R)-7-(acetyloxy)-4-(butanoyloxy)-5,9-dimethyl-8-oxo-11-(prop-1-en-2-yl)-2-(propanoyloxy)-16-oxatetracyclo[7.5.2.0¹,¹⁰.0³,⁷]hexadec-12-en-14-yl pyridine-3-carboxylate
AlkaPlorer ID: AK410768
Synonym: None
IUPAC Name: (7-acetyloxy-4-butanoyloxy-5,9-dimethyl-8-oxo-2-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)CCC)C4C2OC(=O)CC)C13
InChI: InChI=1S/C35H43NO10/c1-8-11-26(39)44-28-20(5)16-35(46-21(6)37)27(28)30(45-25(38)9-2)34-18-42-33(7,32(35)41)29(34)23(19(3)4)13-14-24(34)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: IIMSBQLKYAMJHZ-UHFFFAOYSA-N
Reference
Four diterpene esters from Euphorbia myrsinites
PubChem CID: 74346979
LOTUS: LTS0041399
COCONUT: CNP0266979.2
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 |
|---|