(1S,3R,13R,14S,17S,18R,19R,20R,21S,22R,23S,24R,25S)-18,22-bis(acetyloxy)-20-[(acetyloxy)methyl]-21-(benzoyloxy)-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 benz
AlkaPlorer ID: AK184928
Synonym: None
IUPAC Name: [(1S,3R,13R,14S,17S,18R,19R,20R,21S,22R,23S,24R,25S)-18,22-diacetyloxy-20-(acetyloxymethyl)-19-benzoyloxy-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-21-yl] benzoate
Structure
SMILES: CC(=O)OC[C@]12[C@H](OC(=O)C3=CC=CC=C3)[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@H](OC(C)=O)[C@@H]2OC(=O)C1=CC=CC=C1)[C@]4(C)O
InChI: InChI=1S/C46H49NO17/c1-23-24(2)39(52)61-36-34(60-27(5)50)38(63-41(54)29-17-12-9-13-18-29)45(22-57-25(3)48)37(62-40(53)28-15-10-8-11-16-28)33(59-26(4)49)31-35(51)46(45,44(36,7)56)64-43(31,6)21-58-42(55)30-19-14-20-47-32(23)30/h8-20,23-24,31,33-38,51,56H,21-22H2,1-7H3/t23-,24+,31-,33-,34+,35-,36+,37-,38+,43+,44+,45-,46+/m1/s1
InChIKey: YLSQEAMFRMMTIC-VVYWFFEDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Monteverdia ebenifolia | Monteverdia | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 887.8880000000003
TPSA？: 246.67999999999995
MolLogP？: 3.050500000000001
Number of H-Donors: 2
Number of H-Acceptors: 18
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|