(1S,3R,15R,18S,19R,20R,21S,22S,23S,24R,25R,26S)-22,23,25-tris(acetyloxy)-21-[(acetyloxy)methyl]-20,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7(12),8,10-trien-19-yl benzoate
AlkaPlorer ID: AK412402
Synonym: None
IUPAC Name: [(1S,3R,18S,24R,26S)-22,23,25-triacetyloxy-21-(acetyloxymethyl)-20,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-19-yl] benzoate
Structure
SMILES: CC(=O)OCC12C(O)C(OC(=O)C3=CC=CC=C3)[C@@H]3OC(=O)C(C)CCC4=NC=CC=C4C(=O)OC[C@]4(C)O[C@@]1(C(OC(C)=O)[C@H]4C(OC(C)=O)C2OC(C)=O)[C@@]3(C)O
InChI: InChI=1S/C41H47NO17/c1-20-15-16-27-26(14-11-17-42-27)37(50)53-18-38(6)28-29(54-22(3)44)34(56-24(5)46)40(19-52-21(2)43)31(47)30(57-36(49)25-12-9-8-10-13-25)33(58-35(20)48)39(7,51)41(40,59-38)32(28)55-23(4)45/h8-14,17,20,28-34,47,51H,15-16,18-19H2,1-7H3/t20?,28-,29?,30?,31?,32?,33+,34?,38+,39+,40?,41+/m1/s1
InChIKey: IMNNEHTZSRSGSH-OGEDKADDSA-N
Reference
Sesquiterpene pyridine alkaloids from Peritassa campestris
PubChem CID: 5315315
LOTUS: LTS0240633
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Peritassa campestris | Peritassa | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 825.8170000000003
TPSA？: 246.67999999999995
MolLogP？: 1.5857000000000014
Number of H-Donors: 2
Number of H-Acceptors: 18
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|