(1'S,2R,2'S,5'R,6'R,10'S,12'S,14'S)-6',10'-dimethyl-5'-[(1S)-1-[(1S,3R,5R)-5,6,6-trimethyl-1-(pyridin-3-yl)-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]ethyl]-13'-oxaspiro[oxolane-2,11'-tetracyclo[7.5.0.0²,⁶.0¹²,¹⁴]tetradecan]-8'-en-5-one
AlkaPlorer ID: AK153940
Synonym: None
IUPAC Name: (1S,2S,5R,6R,10S,11R,12S,14S)-6,10-dimethyl-5-[(1S)-1-[(1S,3R,5R)-5,6,6-trimethyl-1-pyridin-3-yl-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]ethyl]spiro[13-oxatetracyclo[7.5.0.02,6.012,14]tetradec-8-ene-11,5'-oxolane]-2'-one
Structure
SMILES: C[C@@H]([C@H]1CC[C@H]2[C@H]3C(=CC[C@]12C)[C@H](C)[C@]1(CCC(=O)O1)[C@H]1O[C@@H]31)[C@H]1C[C@@]2(C)O[C@@](C3=CC=CN=C3)(O1)OC2(C)C
InChI: InChI=1S/C33H43NO6/c1-18(24-16-31(6)29(3,4)39-33(37-24,40-31)20-8-7-15-34-17-20)22-9-10-23-26-21(11-13-30(22,23)5)19(2)32(28-27(26)36-28)14-12-25(35)38-32/h7-8,11,15,17-19,22-24,26-28H,9-10,12-14,16H2,1-6H3/t18-,19-,22+,23-,24+,26+,27-,28-,30+,31+,32+,33-/m0/s1
InChIKey: BJKGLGPBYJCOBX-LUEUTYDMSA-N
Reference
Egostanoids from Petunia inflata
PubChem CID: 162907755
LOTUS: LTS0051446
SuperNatural Ⅲ: SN0027199-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Petunia integrifolia | Petunia | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 549.7080000000002
TPSA？: 79.41000000000001
MolLogP？: 5.672700000000006
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|