(2R,3S)-3-[(1S,2R,3S,9R,10S,11S,14R,15R)-3-(acetyloxy)-2,15-dimethyl-5-oxo-9-(pyridine-3-carbonyloxy)tetracyclo[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: AK215149
Synonym: None
IUPAC Name: [(1S,7R,8S,9S,10R,13R,14S,17R)-1-acetyloxy-10,13-dimethyl-3-oxo-17-[(2S,3R)-3-(pyridine-3-carbonyloxy)-4-[(2S)-2,3,3-trimethyloxiran-2-yl]butan-2-yl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-yl] pyridine-3-carboxylate
Structure
SMILES: CC(=O)O[C@H]1CC(=O)C=C2C[C@@H](OC(=O)C3=CC=CN=C3)[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/C42H52N2O8/c1-24(34(21-41(6)39(3,4)52-41)51-38(48)27-11-9-17-44-23-27)30-12-13-31-36-32(14-15-40(30,31)5)42(7)28(18-29(46)20-35(42)49-25(2)45)19-33(36)50-37(47)26-10-8-16-43-22-26/h8-11,16-18,22-24,30-36H,12-15,19-21H2,1-7H3/t24-,30+,31-,32-,33+,34+,35-,36-,40+,41-,42-/m0/s1
InChIKey: DGZGUWBOEUGRGI-VSUWTXQTSA-N
Reference
Egostanoids from Petunia inflata
PubChem CID: 163044566
LOTUS: LTS0044949
SuperNatural Ⅲ: SN0065496-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Petunia integrifolia | Petunia | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 712.884
TPSA？: 134.28000000000003
MolLogP？: 7.120900000000009
Number of H-Donors: 0
Number of H-Acceptors: 10
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|