| SpectraBase Compound ID | KZ31qVgmJOo |
|---|---|
| InChI | InChI=1S/C49H72O16/c1-25(50)32-17-20-49(55)47(32,6)36(63-44(53)29-13-11-10-12-14-29)24-35-46(5)18-16-31(21-30(46)15-19-48(35,49)54)62-37-22-33(56-7)41(27(3)59-37)64-38-23-34(57-8)42(28(4)60-38)65-45-40(52)43(58-9)39(51)26(2)61-45/h10-15,26-28,31-43,45,51-52,54-55H,16-24H2,1-9H3/t26-,27-,28-,31+,32?,33-,34+,35?,36-,37+,38+,39-,40-,41-,42-,43-,45+,46+,47+,48+,49-/m1/s1 |
| InChIKey | RZNAJJMCFUWAQD-IOWIEPAGSA-N |
| Mol Weight | 917.1 g/mol |
| Molecular Formula | C49H72O16 |
| Exact Mass | 916.482036 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8fpn8XMYivb |
|---|---|
| Name | Foleotoside A |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C49H72O16 |
| InChI | InChI=1S/C49H72O16/c1-25(50)32-17-20-49(55)47(32,6)36(63-44(53)29-13-11-10-12-14-29)24-35-46(5)18-16-31(21-30(46)15-19-48(35,49)54)62-37-22-33(56-7)41(27(3)59-37)64-38-23-34(57-8)42(28(4)60-38)65-45-40(52)43(58-9)39(51)26(2)61-45/h10-15,26-28,31-43,45,51-52,54-55H,16-24H2,1-9H3/t26-,27-,28-,31+,32?,33-,34+,35?,36-,37+,38+,39-,40-,41-,42-,43-,45+,46+,47+,48+,49-/m1/s1 |
| InChIKey | RZNAJJMCFUWAQD-IOWIEPAGSA-N |
| Molecular Weight | 917.099 g/mol |
| SMILES | O[C@]1([C@]([C@]([C@](O[C@@]2([C@](O[C@@](O[C@@]3([C@](O[C@@](O[C@@]4(CC=5[C@@](C6C[C@]([C@]7([C@@]([C@@]6(CC5)O)(CCC7C(=O)C)O)C)(OC(=O)c5ccccc5)[H])(CC4)C)[H])(C[C@]3(OC)[H])[H])(C)[H])[H])(C[C@@]2(OC)[H])[H])(C)[H])[H])(O[C@@]1(C)[H])[H])(O)[H])(OC)[H])[H] |
| SPLASH | splash10-01ow-9501000000-bda956c723bf83618efb |
| Source of Spectrum | X2-54-1674-1 |
| Synonyms | 12-O-Benzoyl-Lineolon-6-desoxy-3-O-methyl-.beta.-D-allopyranosyl-(1->4)-cymaropyranosyl-(1->4)-.beta.-D-cymaroside |
| Wiley ID | 1604231 |