(1S,2R,9R,10S,11S,14R,15R)-2,15-dimethyl-5-oxo-14-[(1S)-1-[(1S,3R,5R)-5,6,6-trimethyl-1-(pyridin-3-yl)-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]ethyl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-9-yl acetate
AlkaPlorer ID: AK136692
Synonym: None
IUPAC Name: [(7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-17-[(1S)-1-[(1S,3R,5R)-5,6,6-trimethyl-1-pyridin-3-yl-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]ethyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl] acetate
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]4C[C@@]5(C)O[C@@](C6=CC=CN=C6)(O4)OC5(C)C)CC[C@H]3[C@H]12
InChI: InChI=1S/C36H47NO6/c1-21(30-19-35(7)32(3,4)42-36(41-30,43-35)23-9-8-16-37-20-23)26-10-11-27-31-28(13-15-34(26,27)6)33(5)14-12-25(39)17-24(33)18-29(31)40-22(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-,33-,34+,35+,36-/m0/s1
InChIKey: FYCJWJJSINCNIJ-ZTOYHQFWSA-N
Reference
Egostanoids from Petunia inflata
PubChem CID: 162963542
LOTUS: LTS0174651
SuperNatural Ⅲ: SN0098618-01
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？: 83.95000000000002
MolLogP？: 6.6667000000000085
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|