[(2R,3R,3aS,4S,4aS,5S,8R,8aS,9R,10aS)-3,5,9-tris(acetyloxy)-4-(butanoyloxy)-10a-hydroxy-2,9-dimethyl-10-oxo-8-(prop-1-en-2-yl)-1H,2H,3H,3aH,4H,5H,8H,8aH-cyclohexa[f]azulen-4a-yl]methyl pyridine-3-carboxylate
AlkaPlorer ID: AK134744
Synonym: None
IUPAC Name: [(1R,2R,3aS,5R,5aS,6R,9S,9aS,10S,10aS)-1,5,9-triacetyloxy-10-butanoyloxy-3a-hydroxy-2,5-dimethyl-4-oxo-6-prop-1-en-2-yl-1,2,3,5a,6,9,10,10a-octahydrobenzo[f]azulen-9a-yl]methyl pyridine-3-carboxylate
Structure
SMILES: C=C(C)[C@@H]1C=C[C@H](OC(C)=O)[C@]2(COC(=O)C3=CC=CN=C3)[C@@H](OC(=O)CCC)[C@@H]3[C@H](OC(C)=O)[C@H](C)C[C@@]3(O)C(=O)[C@](C)(OC(C)=O)[C@@H]12
InChI: InChI=1S/C36H45NO12/c1-9-11-27(41)48-31-28-29(47-22(6)39)20(4)16-36(28,44)33(43)34(8,49-23(7)40)30-25(19(2)3)13-14-26(46-21(5)38)35(30,31)18-45-32(42)24-12-10-15-37-17-24/h10,12-15,17,20,25-26,28-31,44H,2,9,11,16,18H2,1,3-8H3/t20-,25+,26+,28+,29-,30-,31+,34-,35+,36+/m1/s1
InChIKey: CIABRNDXNIZPOS-QCFQNOCXSA-N
Reference
Three Tricyclic Diterpenoids from<i>Euphorbia decipiens</i>
PubChem CID: 162915516
LOTUS: LTS0246828
SuperNatural Ⅲ: SN0046265-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Euphorbia polycaulis | Euphorbia | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 683.7510000000001
TPSA？: 181.69
MolLogP？: 3.4700000000000024
Number of H-Donors: 1
Number of H-Acceptors: 13
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|