(2R,3S)-3-[(1S,2R,9R,10S,11S,14R,15R)-9-(acetyloxy)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-14-yl]-1-[(2S)-trimethyloxiran-2-yl]butan-2-yl pyridine-3-carboxylate
AlkaPlorer ID: AK195763
Synonym: None
IUPAC Name: [(2R,3S)-3-[(7R,8S,9S,10R,13R,14S,17R)-7-acetyloxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-1-[(2S)-2,3,3-trimethyloxiran-2-yl]butan-2-yl] pyridine-3-carboxylate
Structure
SMILES: CC(=O)O[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)[C@@H](C[C@]4(C)OC4(C)C)OC(=O)C4=CC=CN=C4)CC[C@H]3[C@H]12
InChI: InChI=1S/C36H47NO6/c1-21(30(19-36(7)33(3,4)43-36)42-32(40)23-9-8-16-37-20-23)26-10-11-27-31-28(13-15-35(26,27)6)34(5)14-12-25(39)17-24(34)18-29(31)41-22(2)38/h8-9,12,14,16-17,20-21,26-31H,10-11,13,15,18-19H2,1-7H3/t21-,26+,27-,28-,29+,30+,31-,34-,35+,36-/m0/s1
InChIKey: GZVZOUGSJKYDIN-UMWSAVCDSA-N
Reference
Egostanoids from Petunia inflata
PubChem CID: 101427410
LOTUS: LTS0202575
SuperNatural Ⅲ: SN0119768-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Petunia integrifolia | Petunia | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 589.7730000000001
TPSA？: 95.09000000000002
MolLogP？: 6.666400000000008
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|