(1R,2R,3R,4S,5S,7R,8S,9R,10R,11S,14R)-2,7-bis(acetyloxy)-5,9-dimethyl-11-(prop-1-en-2-yl)-4-(propanoyloxy)-14-(pyridine-3-carbonyloxy)-16-oxatetracyclo[7.5.2.0¹,¹⁰.0³,⁷]hexadec-12-en-8-yl pyridine-3-carboxylate
AlkaPlorer ID: AK594297
Synonym: None
IUPAC Name: [2,7-diacetyloxy-5,9-dimethyl-4-propanoyloxy-11-prop-1-en-2-yl-8-(pyridine-3-carbonyloxy)-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(OC(=O)C4=CC=CN=C4)C4(OC(C)=O)CC(C)C(OC(=O)CC)C4C2OC(C)=O)C13
InChI: InChI=1S/C39H44N2O11/c1-8-29(44)50-31-22(4)17-39(52-24(6)43)30(31)33(48-23(5)42)38-20-47-37(7,36(39)51-35(46)26-12-10-16-41-19-26)32(38)27(21(2)3)13-14-28(38)49-34(45)25-11-9-15-40-18-25/h9-16,18-19,22,27-28,30-33,36H,2,8,17,20H2,1,3-7H3
InChIKey: ZONUZKYONKQNDQ-UHFFFAOYSA-N
Reference
Diterpenes from Euphorbia seguieriana
PubChem CID: 77911662
LOTUS: LTS0234214
COCONUT: CNP0229823.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Euphorbia seguieriana | Euphorbia | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 716.7840000000002
TPSA？: 166.51
MolLogP？: 4.606200000000005
Number of H-Donors: 0
Number of H-Acceptors: 13
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|