(2R,3S)-3-[(1S,2R,3S,9R,10S,11S,14R,15R)-3-(acetyloxy)-9-hydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl]-1-[(2S)-trimethyloxiran-2-yl]butan-2-yl pyridine-3-carboxylate
AlkaPlorer ID: AK266067
Synonym: None
IUPAC Name: [(2R,3S)-3-[(1S,7R,8S,9S,10R,13R,14S,17R)-1-acetyloxy-7-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[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]1CC(=O)C=C2C[C@@H](O)[C@H]3[C@@H]4CC[C@H]([C@H](C)[C@@H](C[C@]5(C)OC5(C)C)OC(=O)C5=CC=CN=C5)[C@@]4(C)CC[C@@H]3[C@]21C
InChI: InChI=1S/C36H49NO7/c1-20(29(18-35(6)33(3,4)44-35)43-32(41)22-9-8-14-37-19-22)25-10-11-26-31-27(12-13-34(25,26)5)36(7)23(16-28(31)40)15-24(39)17-30(36)42-21(2)38/h8-9,14-15,19-20,25-31,40H,10-13,16-18H2,1-7H3/t20-,25+,26-,27-,28+,29+,30-,31-,34+,35-,36-/m0/s1
InChIKey: AFDRIUQNKOGLSG-LYFPAOQYSA-N
Reference
Egostanoids from Petunia inflata
PubChem CID: 102147746
LOTUS: LTS0122970
SuperNatural Ⅲ: SN0004005-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Petunia integrifolia | Petunia | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 607.7880000000001
TPSA？: 115.32
MolLogP？: 5.861200000000006
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|