(1S,3R,13R,14S,17S,18R,19R,20S,21S,22R,23R,24R,25S)-21,22-bis(acetyloxy)-20-[(acetyloxy)methyl]-24-(benzoyloxy)-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 pyri
AlkaPlorer ID: AK087037
Synonym: None
IUPAC Name: [(1S,3R,13R,14S,17S,18R,19R,20S,21S,22R,23R,24R,25S)-21,22-diacetyloxy-20-(acetyloxymethyl)-24-benzoyloxy-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] pyridine-3-carboxylate
Structure
SMILES: CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(=O)C4=CC=CC=C4)[C@@]14O[C@@]3(C)COC(=O)C1=CC=CN=C1[C@H](C)[C@H](C)C(=O)O[C@@H]([C@H](O)[C@@H]2OC(=O)C1=CC=CN=C1)[C@]4(C)O
InChI: InChI=1S/C45H48N2O17/c1-22-23(2)38(52)62-35-32(51)36(63-40(54)28-15-11-17-46-19-28)44(21-57-24(3)48)37(60-26(5)50)33(59-25(4)49)30-34(61-39(53)27-13-9-8-10-14-27)45(44,43(35,7)56)64-42(30,6)20-58-41(55)29-16-12-18-47-31(22)29/h8-19,22-23,30,32-37,51,56H,20-21H2,1-7H3/t22-,23+,30-,32+,33-,34-,35+,36+,37-,42+,43+,44+,45+/m1/s1
InChIKey: VPHAQFZCRNMBDW-PGUOSFTDSA-N
Reference
Sesquiterpene alkaloids from Euonymus japonica
PubChem CID: 162884957
LOTUS: LTS0084213
SuperNatural Ⅲ: SN0396471-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Euonymus japonicus | Euonymus | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 888.8760000000003
TPSA？: 259.57
MolLogP？: 2.4455000000000013
Number of H-Donors: 2
Number of H-Acceptors: 19
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|