Ebenifoline E-I
AlkaPlorer ID: AK040181
Synonym: '', 'Ebenifoline E-I'
IUPAC Name: [(1S,3S,13R,14R,17S,18S,19R,20S,21R,22R,23R,24R,25S)-21,22,24-triacetyloxy-20-(acetyloxymethyl)-18,25-dihydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-19-yl] benzoate
Structure
SMILES: CC(=O)OC[C@@]12[C@@H](OC(=O)C3=CC=CC=C3)[C@H](O)[C@@H]3OC(=O)[C@H](C)[C@@H](C)C4=NC=CC=C4C(=O)OC[C@@]4(C)O[C@@]1([C@H](OC(C)=O)[C@H]4[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@]3(C)O
InChI: InChI=1S/C41H47NO17/c1-19-20(2)35(48)57-32-29(47)33(58-36(49)25-13-10-9-11-14-25)40(18-52-21(3)43)34(56-24(6)46)30(54-22(4)44)27-31(55-23(5)45)41(40,39(32,8)51)59-38(27,7)17-53-37(50)26-15-12-16-42-28(19)26/h9-16,19-20,27,29-34,47,51H,17-18H2,1-8H3/t19-,20-,27-,29-,30-,31-,32+,33+,34+,38-,39+,40+,41+/m1/s1
InChIKey: SACNWJXZRCLNCY-PXMFRYQASA-N
Reference
Insecticidal Sesquiterpene Pyridine Alkaloids from <i>Maytenus </i><i>c</i><i>hiapensis</i>
PubChem CID: 162921665
LOTUS: LTS0183493
Source
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Properties Information
Molecule Weight: 825.8170000000003
TPSA？: 246.67999999999992
MolLogP？: 1.756600000000002
Number of H-Donors: 2
Number of H-Acceptors: 18
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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