(1S,2R,3R,4S,5S,7R,8S,9R,10R,11S,12S,14R,15R)-2,7,12-tris(acetyloxy)-5,9,12-trimethyl-16-oxo-4-(propanoyloxy)-15-(pyridine-3-carbonyloxy)-18-oxapentacyclo[7.7.2.0¹,¹⁰.0³,⁷.0¹¹,¹⁴]octadecan-8-yl pyridine-3-carboxylate
AlkaPlorer ID: AK251107
Synonym: None
IUPAC Name: [(1S,2R,3R,4S,5S,7R,8S,9R,10R,11S,12S,14R,15R)-2,7,12-triacetyloxy-5,9,12-trimethyl-16-oxo-4-propanoyloxy-8-(pyridine-3-carbonyloxy)-18-oxapentacyclo[7.7.2.01,10.03,7.011,14]octadecan-15-yl] pyridine-3-carboxylate
Structure
SMILES: CCC(=O)O[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@@]34CO[C@@](C)([C@H](OC(=O)C5=CC=CN=C5)[C@@]2(OC(C)=O)C[C@@H]1C)[C@@H]3[C@@H]1[C@@H](C[C@]1(C)OC(C)=O)[C@@H](OC(=O)C1=CC=CN=C1)C4=O
InChI: InChI=1S/C41H46N2O14/c1-8-27(47)53-30-20(2)15-41(57-23(5)46)29(30)34(52-21(3)44)40-19-51-39(7,37(41)55-36(50)25-12-10-14-43-18-25)32(40)28-26(16-38(28,6)56-22(4)45)31(33(40)48)54-35(49)24-11-9-13-42-17-24/h9-14,17-18,20,26,28-32,34,37H,8,15-16,19H2,1-7H3/t20-,26+,28-,29+,30-,31+,32-,34+,37-,38-,39+,40-,41+/m0/s1
InChIKey: NTWZUXZIGQWFLP-VQKMHOFXSA-N
Reference
Diterpenes from Euphorbia seguieriana
PubChem CID: 163069466
LOTUS: LTS0241757
SuperNatural Ⅲ: SN0255155-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Euphorbia seguieriana | Euphorbia | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 790.8190000000001
TPSA？: 209.88
MolLogP？: 3.3847000000000014
Number of H-Donors: 0
Number of H-Acceptors: 16
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|