| SpectraBase Compound ID | Lhc163ocVFG |
|---|---|
| InChI | InChI=1S/C61H86O34/c1-8-26-30(34(53(78)81-5)21-86-56(26)93-59-50(75)47(72)44(69)38(16-63)90-59)12-41(66)84-19-25(15-62)29-11-37(89-43(68)14-32-28(10-3)58(88-23-36(32)55(80)83-7)95-61-52(77)49(74)46(71)40(18-65)92-61)24(4)33(29)20-85-42(67)13-31-27(9-2)57(87-22-35(31)54(79)82-6)94-60-51(76)48(73)45(70)39(17-64)91-60/h8-10,21-25,29-33,37-40,44-52,56-65,69-77H,11-20H2,1-7H3/b26-8-,27-9-,28-10-/t24-,25?,29+,30?,31?,32?,33?,37?,38+,39-,40+,44+,45-,46+,47-,48+,49-,50+,51-,52+,56?,57?,58?,59?,60+,61+/m1/s1 |
| InChIKey | PCMFSBCRKKRDDK-BWECPXJQSA-N |
| Mol Weight | 1363.3 g/mol |
| Molecular Formula | C61H86O34 |
| Exact Mass | 1362.50005 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | F5Xq0QzEZ6F |
|---|---|
| Name | Sambacoside A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C61H86O34 |
| InChI | InChI=1S/C61H86O34/c1-8-26-30(34(53(78)81-5)21-86-56(26)93-59-50(75)47(72)44(69)38(16-63)90-59)12-41(66)84-19-25(15-62)29-11-37(89-43(68)14-32-28(10-3)58(88-23-36(32)55(80)83-7)95-61-52(77)49(74)46(71)40(18-65)92-61)24(4)33(29)20-85-42(67)13-31-27(9-2)57(87-22-35(31)54(79)82-6)94-60-51(76)48(73)45(70)39(17-64)91-60/h8-10,21-25,29-33,37-40,44-52,56-65,69-77H,11-20H2,1-7H3/b26-8-,27-9-,28-10-/t24-,25?,29+,30?,31?,32?,33?,37?,38+,39-,40+,44+,45-,46+,47-,48+,49-,50+,51-,52+,56?,57?,58?,59?,60+,61+/m1/s1 |
| InChIKey | PCMFSBCRKKRDDK-BWECPXJQSA-N |
| Molecular Weight | 1363.325 g/mol |
| SMILES | O[C@@]1([C@]([C@](OC2OC=C(C(CC(OCC3[C@](C(COC(CC4\C(C(OC5[C@]([C@@]([C@]([C@@](O5)(CO)[H])(O)[H])(O)[H])(O)[H])OC=C4C(=O)OC)=C/C)=O)CO)(CC([C@@]3(C)[H])OC(CC3C(=COC(\C3=C\C)O[C@]3([C@]([C@](O)([C@]([C@@](O3)(CO)[H])(O)[H])[H])(O)[H])[H])C(=O)OC)=O)[H])=O)\C2=C\C)C(=O)OC)(O[C@@]([C@]1(O)[H])(CO)[H])[H])(O)[H])[H] |
| SPLASH | splash10-0a4i-9000000000-d4faa280c0a272f45158 |
| Source of Spectrum | QA-48-372-9 |
| Wiley ID | 863446 |