(1R,2R,3aR,5S,9S,10S,11S,13R,13aR)-9,10,11-tris(acetyloxy)-1,3a-dihydroxy-2,5,8,8-tetramethyl-13-{[(2R)-2-methylbutanoyl]oxy}-12-methylidene-4-oxo-1H,3H,5H,9H,10H,11H,13H,13aH-cyclopenta[12]annulen-2-yl pyridine-3-carboxylate
AlkaPlorer ID: AK446951
Synonym: None
IUPAC Name: [(1R,2R,3aR,5S,6E,9S,10S,11S,13R,13aR)-9,10,11-triacetyloxy-1,3a-dihydroxy-2,5,8,8-tetramethyl-13-[(2R)-2-methylbutanoyl]oxy-12-methylidene-4-oxo-1,3,5,9,10,11,13,13a-octahydrocyclopenta[12]annulen-2-yl] pyridine-3-carboxylate
Structure
SMILES: C=C1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(C)(C)/C=C/[C@H](C)C(=O)[C@@]2(O)C[C@@](C)(OC(=O)C3=CC=CN=C3)[C@H](O)[C@@H]2[C@H]1OC(=O)[C@H](C)CC
InChI: InChI=1S/C37H49NO13/c1-11-19(2)33(44)50-27-21(4)28(47-22(5)39)29(48-23(6)40)32(49-24(7)41)35(8,9)15-14-20(3)30(42)37(46)18-36(10,31(43)26(27)37)51-34(45)25-13-12-16-38-17-25/h12-17,19-20,26-29,31-32,43,46H,4,11,18H2,1-3,5-10H3/b15-14+/t19-,20+,26+,27+,28+,29-,31-,32-,36-,37-/m1/s1
InChIKey: LOFYLMVVNBTSKH-ZQCZKMAKSA-N
Reference
Jatrophane and tigliane diterpenes from the latex of Euphorbia obtusifolia
PubChem CID: 163193244
LOTUS: LTS0124767
SuperNatural Ⅲ: SN0210943-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Euphorbia terracina | Euphorbia | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 715.7930000000002
TPSA？: 201.92
MolLogP？: 3.2194000000000003
Number of H-Donors: 2
Number of H-Acceptors: 14
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|