[(1S,3R,13S,14S,17S,18R,19R,20S,21S,22R,23R,24R,25S)-19,21,22,24-tetrakis(acetyloxy)-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-20-yl]methyl acetate
AlkaPlorer ID: AK553604
Synonym: None
IUPAC Name: [(1S,3S,17S,18R,19R,20S,21S,22R,24R,25S)-19,21,22,24-tetraacetyloxy-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-20-yl]methyl acetate
Structure
SMILES: CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)C3[C@@H](OC(C)=O)[C@@]14O[C@]3(C)COC(=O)C1=CC=CN=C1C(C)C(C)C(=O)O[C@@H]([C@H](O)[C@@H]2OC(C)=O)[C@]4(C)O
InChI: InChI=1S/C36H45NO17/c1-15-16(2)31(44)53-28-25(43)29(51-20(6)41)35(14-47-17(3)38)30(52-21(7)42)26(49-18(4)39)23-27(50-19(5)40)36(35,34(28,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,25-30,43,46H,13-14H2,1-9H3/t15?,16?,23?,25-,26+,27+,28-,29-,30+,33+,34-,35-,36-/m0/s1
InChIKey: VWRGSMDCPWKKRO-KDRJONGMSA-N
Reference
Sesquiterpene pyridine alkaloids from Peritassa campestris
PubChem CID: 101204020
LOTUS: LTS0151326
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Peritassa campestris | Peritassa | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 763.7460000000004
TPSA？: 246.67999999999995
MolLogP？: 0.4627000000000041
Number of H-Donors: 2
Number of H-Acceptors: 18
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|