(1S,3R,13R,14S,17R,18S,19R,20R,21S,22R,23R,24R,25R)-18,21,22,24-tetrakis(acetyloxy)-20-[(acetyloxy)methyl]-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: AK168232
Synonym: None
IUPAC Name: [(1S,3R,13R,14S,17R,18S,19R,20R,21S,22R,23R,24R,25R)-18,21,22,24-tetraacetyloxy-20-(acetyloxymethyl)-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](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](OC(C)=O)[C@@H]2OC(=O)C1=CC=CC=C1)[C@H]4C
InChI: InChI=1S/C43H49NO17/c1-20-21(2)38(50)59-32-22(3)43-35(57-26(7)48)30(41(9,61-43)18-54-40(52)29-16-13-17-44-31(20)29)33(55-24(5)46)36(58-27(8)49)42(43,19-53-23(4)45)37(34(32)56-25(6)47)60-39(51)28-14-11-10-12-15-28/h10-17,20-22,30,32-37H,18-19H2,1-9H3/t20-,21+,22-,30-,32-,33-,34+,35-,36-,37+,41+,42-,43-/m1/s1
InChIKey: ANYZXYOBJYZEGI-IKTJLNDISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Monteverdia ebenifolia | Monteverdia | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 851.8550000000004
TPSA？: 232.51999999999995
MolLogP？: 3.212500000000004
Number of H-Donors: 0
Number of H-Acceptors: 18
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|