(1S,2S,4S,5R,10R,11S,14R,15R,18S)-5-hydroxy-10,14-dimethyl-15-[(1S)-1-[(1S,3R,5R)-5,6,6-trimethyl-1-(pyridin-3-yl)-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]ethyl]-3-oxapentacyclo[9.7.0.0²,⁴.0⁵,¹⁰.0¹⁴,¹⁸]octadec-7-en-9-one
AlkaPlorer ID: AK260466
Synonym: None
IUPAC Name: (1S,2S,4S,5R,10R,11S,14R,15R,18S)-5-hydroxy-10,14-dimethyl-15-[(1S)-1-[(1S,3R,5R)-5,6,6-trimethyl-1-pyridin-3-yl-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]ethyl]-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one
Structure
SMILES: C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1C[C@@]2(C)O[C@@](C3=CC=CN=C3)(O1)OC2(C)C
InChI: InChI=1S/C34H45NO6/c1-19(24-17-31(5)29(2,3)40-34(39-24,41-31)20-9-8-16-35-18-20)21-11-12-22-26-23(13-15-30(21,22)4)32(6)25(36)10-7-14-33(32,37)28-27(26)38-28/h7-10,16,18-19,21-24,26-28,37H,11-15,17H2,1-6H3/t19-,21+,22-,23-,24+,26-,27-,28-,30+,31+,32-,33-,34-/m0/s1
InChIKey: QEHIZBCYSGVLTD-SPOISOSSSA-N
Reference
Egostanoids from Petunia inflata
PubChem CID: 162914562
LOTUS: LTS0247128
SuperNatural Ⅲ: SN0303055-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Petunia integrifolia | Petunia | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 563.7350000000002
TPSA？: 90.41
MolLogP？: 5.3071000000000055
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|