(1S,3R,13R,14S,17S,18R,19R,20S,21S,22R,23R,24R,25S)-21,22,24-tris(acetyloxy)-20-[(acetyloxy)methyl]-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-carbo
AlkaPlorer ID: AK114078
Synonym: None
IUPAC Name: [(1S,3R,13R,14S,17S,18R,19R,20S,21S,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] 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(C)=O)[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/C40H46N2O17/c1-18-19(2)34(48)57-31-28(47)32(58-35(49)24-11-9-13-41-15-24)39(17-52-20(3)43)33(56-23(6)46)29(54-21(4)44)26-30(55-22(5)45)40(39,38(31,8)51)59-37(26,7)16-53-36(50)25-12-10-14-42-27(18)25/h9-15,18-19,26,28-33,47,51H,16-17H2,1-8H3/t18-,19+,26-,28+,29-,30-,31+,32+,33-,37+,38+,39+,40+/m1/s1
InChIKey: JJUYPOGZDJZMIW-UAPHFTDVSA-N
Reference
Sesquiterpene alkaloids from Euonymus japonica
PubChem CID: 162920707
LOTUS: LTS0063872
SuperNatural Ⅲ: SN0167392-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Euonymus japonicus | Euonymus | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 826.8050000000004
TPSA？: 259.57
MolLogP？: 1.1516000000000042
Number of H-Donors: 2
Number of H-Acceptors: 19
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|