(1S,5S,7S,9S,11R,12R,13S,14S)-1,11-bis(acetyloxy)-13-(benzoyloxy)-3,14-dimethyl-10-methylidenetricyclo[10.3.0.0⁵,⁷]pentadec-3-en-9-yl pyridine-3-carboxylate
AlkaPlorer ID: AK329946
Synonym: None
IUPAC Name: [(1S,3E,5S,7S,9S,11R,12R,13S,14S)-1,11-diacetyloxy-13-benzoyloxy-3,14-dimethyl-10-methylidene-9-tricyclo[10.3.0.05,7]pentadec-3-enyl] pyridine-3-carboxylate
Structure
SMILES: C=C1[C@@H](OC(=O)C2=CC=CN=C2)C[C@@H]2C[C@@H]2/C=C(\C)C[C@@]2(OC(C)=O)C[C@H](C)[C@H](OC(=O)C3=CC=CC=C3)[C@@H]2[C@H]1OC(C)=O
InChI: InChI=1S/C35H39NO8/c1-20-14-27-15-28(27)16-29(42-34(40)26-12-9-13-36-19-26)22(3)32(41-23(4)37)30-31(43-33(39)25-10-7-6-8-11-25)21(2)18-35(30,17-20)44-24(5)38/h6-14,19,21,27-32H,3,15-18H2,1-2,4-5H3/b20-14+/t21-,27-,28-,29-,30+,31-,32-,35+/m0/s1
InChIKey: ADJMLUIEQKXKBO-TWZSNYNYSA-N
Reference
Lathyrane diterpenes from Euphorbia lathyris
PubChem CID: 163187846
LOTUS: LTS0079073
SuperNatural Ⅲ: SN0002605-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Euphorbia lathyris | Euphorbia | Euphorbiaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 601.6960000000004
TPSA？: 118.09000000000005
MolLogP？: 5.654600000000006
Number of H-Donors: 0
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|