| Synonyms |
2-Furancarboxylic acid, [(9S,10S,11S,12R,13S,14R,15R,16R,21R,22R,23R)-13,14,21,22,23-pentakis(acetyloxy)-5,6,7,9,10,14,15,16,17,19-decahydro-10-hydroxy-5,6,10,16-tetramethyl-7,19-dioxo-11,16-epoxy-9,12-ethano-11,15-methano-11H-[1,8]dioxacycloheptadecino[3,4-c]pyridin-12(13H)-yl]methyl ester |
| IUPAC Name |
[(1S,3R,17S,18R,19R,20R,21S,22R,23R,24R,25S)-18,19,21,22,24-pentaacetyloxy-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-9-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl]methyl furan-3-carboxylate |
| Molecular Weight |
857.81 |
| Molecular Formula |
C41H47NO19 |
| Canonical SMILES |
CC1C(C(=O)OC2C(C(C3(C(C(C4C(C3(C2(C)O)OC4(COC(=O)C5=C1C=CN=C5)C)OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C6=COC=C6)OC(=O)C)OC(=O)C)C |
| InChI |
InChI=1S/C41H47NO19/c1-18-19(2)35(48)60-32-30(56-21(4)44)34(59-24(7)47)40(17-54-36(49)25-11-13-52-15-25)33(58-23(6)46)29(55-20(3)43)28-31(57-22(5)45)41(40,39(32,9)51)61-38(28,8)16-53-37(50)27-14-42-12-10-26(18)27/h10-15,18-19,28-34,51H,16-17H2,1-9H3/t18?,19?,28-,29-,30+,31-,32+,33-,34+,38+,39+,40-,41+/m1/s1 |
| InChIKey |
YEUMGQWGGSDHAE-PWIKAHHMSA-N |
| Purity |
≥95% |
| Solubility |
DMSO: 250 mg/mL (538.35 mM) |
| Appearance |
Solid powder |
| Storage |
Store at -20°C |
| Complexity |
1800 |
| Exact Mass |
857.27422827 |
| Target |
IC50: HIV |
| XLogP3-AA |
1.2 |
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