(2R,3S)-3-[(1S,2R,9R,10S,11S,14R,15R)-9-hydroxy-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: AK241731
Synonym: None
IUPAC Name: [(2R,3S)-3-[(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-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: C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)[C@@H](C[C@]1(C)OC1(C)C)OC(=O)C1=CC=CN=C1
InChI: InChI=1S/C34H45NO5/c1-20(28(18-34(6)31(2,3)40-34)39-30(38)21-8-7-15-35-19-21)24-9-10-25-29-26(12-14-33(24,25)5)32(4)13-11-23(36)16-22(32)17-27(29)37/h7-8,11,13,15-16,19-20,24-29,37H,9-10,12,14,17-18H2,1-6H3/t20-,24+,25-,26-,27+,28+,29-,32-,33+,34-/m0/s1
InChIKey: MDUKOTUMOLLGQF-XPCGKLLESA-N
Reference
Egostanoids from Petunia inflata
PubChem CID: 162887763
LOTUS: LTS0064412
SuperNatural Ⅲ: SN0222889-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Petunia integrifolia | Petunia | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 547.7360000000003
TPSA？: 89.02
MolLogP？: 6.095600000000007
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|