| CAS Number | 88901-41-1 |
| Catalog Number | AG00H0RF(AGN-PC-0VO5DU) |
| Chemical Name | Mogroside IV-A |
| IUPAC Name | 2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-[[11-hydroxy-17-[6-hydroxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyheptan-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-2-yl]methoxy]oxane-3,4,5-triol |
| InChI | InChI=1S/C54H92O24/c1-22(9-13-33(51(4,5)70)78-49-45(69)41(65)37(61)29(76-49)21-72-47-43(67)39(63)35(59)27(19-56)74-47)23-15-16-52(6)30-12-10-24-25(54(30,8)31(57)17-53(23,52)7)11-14-32(50(24,2)3)77-48-44(68)40(64)36(60)28(75-48)20-71-46-42(66)38(62)34(58)26(18-55)73-46/h10,22-23,25-49,55-70H,9,11-21H2,1-8H3 |
| InChI Key | OKGRRPCHOJYNKX-UHFFFAOYSA-N |
| MDL Number | MFCD21333480 |
| Molecular Formula | C54H92O24 |
| Molecular Weight | 1125.2939 |
| SMILES | C[C@]12[C@]3([H])CC[C@H](O[C@@]4([H])[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)O4)C(C)(C)C3=CC[C@@]1([H])[C@@]1(CC[C@]([H])([C@H](C)CC[C@H](C(O)(C)C)O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)O3)[C@@]1(C)C[C@H]2O)C |
| Synonyms | Mogroside IVa,
88901-41-1,
ACN-047425,
|
| Complexity | 2030 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 1124.598g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 78 |
| Hydrogen Bond Acceptor Count | 24 |
| Hydrogen Bond Donor Count | 16 |
| Isotope Atom Count | 0 |
| Molecular Weight | 1125.306g/mol |
| Monoisotopic Mass | 1124.598g/mol |
| Rotatable Bond Count | 17 |
| Topological Polar Surface Area | 398A^2 |
| Undefined Atom Stereocenter Count | 30 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number