| 2D Structure | |
| CID | 181164 |
| IUPAC Name | 2-[4-[6-hydroxy-16-[4-hydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| InChI | InChI=1S/C50H84O23/c1-20(18-65-44-39(61)36(58)34(56)29(15-51)68-44)7-12-50(64)21(2)32-28(73-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)67-47-43(72-46-40(62)37(59)35(57)30(16-52)69-46)41(63)42(31(17-53)70-47)71-45-38(60)33(55)27(54)19-66-45/h20-47,51-64H,5-19H2,1-4H3 |
| InChI Key | TUDCHFPLNJLAIG-UHFFFAOYSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C50H84O23 |
| Molecular Weight | 1053.2 |
| synonyms | ['Officinalisin II', 'Officinalisnin II', '57944-19-1', 'SCHEMBL30634714', 'DTXSID10973519', 'CHEBI:230145', '2-[4-[6-hydroxy-16-[4-hydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol', '3-{[Hexopyranosyl-(1->2)-[pentopyranosyl-(1->4)]hexopyranosyl]oxy}-22-hydroxyfurostan-27-yl hexopyranoside'] |
From Pubchem