(1S,3R,15S,18S,19R,20R,21R,22S,23R,24S,25R,26S)-22,23-bis(acetyloxy)-21-[(acetyloxy)methyl]-20-(benzoyloxy)-25,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.0¹,²¹.0³,²⁴.0⁷,¹²]hexacosa-7(12),8,10-trien-19-yl benzoate
AlkaPlorer ID: AK204255
Synonym: None
IUPAC Name: [(1S,3R,15S,18S,19R,20R,21R,22S,23R,24S,25R,26S)-22,23-diacetyloxy-21-(acetyloxymethyl)-20-benzoyloxy-25,26-dihydroxy-3,15,26-trimethyl-6,16-dioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-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=C1CC[C@H](C)C(=O)O[C@@H]([C@H](OC(=O)C1=CC=CC=C1)[C@@H]2OC(=O)C1=CC=CC=C1)[C@]4(C)O
InChI: InChI=1S/C46H49NO17/c1-24-19-20-31-30(18-13-21-47-31)42(55)58-22-43(5)32-33(59-26(3)49)37(60-27(4)50)45(23-57-25(2)48)38(63-41(54)29-16-11-8-12-17-29)34(61-40(53)28-14-9-7-10-15-28)36(62-39(24)52)44(6,56)46(45,64-43)35(32)51/h7-18,21,24,32-38,51,56H,19-20,22-23H2,1-6H3/t24-,32+,33+,34-,35+,36-,37+,38-,43-,44-,45+,46-/m0/s1
InChIKey: WIAVMDNVXPTMKZ-PVQTXVNVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Monteverdia ebenifolia | Monteverdia | Celastraceae | Celastrales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 887.8880000000004
TPSA？: 246.67999999999995
MolLogP？: 2.879600000000003
Number of H-Donors: 2
Number of H-Acceptors: 18
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|