(1S,3R,13R,14S,17S,18R,19R,20R,21S,22R,23S,24R,25S)-18,21,22-tris(acetyloxy)-20-[(acetyloxy)methyl]-24,25-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
AlkaPlorer ID: AK361386
Synonym: None
IUPAC Name: [(1S,3S,13S,14R,17S,19R,20R,21S,22R,23R,24R,25S)-18,21,22-triacetyloxy-20-(acetyloxymethyl)-24,25-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(C)=O)[C@H](OC(C)=O)[C@H]3[C@@H](O)[C@@]14O[C@]3(C)COC(=O)C1=CC=CN=C1[C@@H](C)[C@@H](C)C(=O)O[C@@H](C(OC(C)=O)[C@@H]2OC(=O)C1=CC=CC=C1)[C@]4(C)O
InChI: InChI=1S/C41H47NO17/c1-19-20(2)35(48)57-32-30(55-23(5)45)34(58-36(49)25-13-10-9-11-14-25)40(18-52-21(3)43)33(56-24(6)46)29(54-22(4)44)27-31(47)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-/m0/s1
InChIKey: CYMKPLHGMJGZSE-STRWIKJKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Euonymus japonicus | Euonymus | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 825.8170000000003
TPSA？: 246.67999999999995
MolLogP？: 1.7566000000000035
Number of H-Donors: 2
Number of H-Acceptors: 18
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|