| SpectraBase Compound ID | AIKbLCrBIDy |
|---|---|
| InChI | InChI=1S/C44H64O24/c1-6-20-23(26(39(57)59-4)16-63-41(20)67-43-37(55)35(53)33(51)29(12-46)65-43)9-31(49)61-14-19(11-45)22-8-28(48)18(3)25(22)15-62-32(50)10-24-21(7-2)42(64-17-27(24)40(58)60-5)68-44-38(56)36(54)34(52)30(13-47)66-44/h6-7,16-19,22-25,28-30,33-38,41-48,51-56H,8-15H2,1-5H3/b20-6-,21-7-/t18-,19+,22+,23+,24+,25-,28-,29-,30-,33-,34-,35+,36+,37-,38-,41+,42+,43+,44+/m1/s1 |
| InChIKey | DHWFTDJZMBRGBH-BPPTWSAXSA-N |
| Mol Weight | 977.0 g/mol |
| Molecular Formula | C44H64O24 |
| Exact Mass | 976.378753 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 50uPNoOwdfG |
|---|---|
| Name | Molihuaside D |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C44H64O24 |
| InChI | InChI=1S/C44H64O24/c1-6-20-23(26(39(57)59-4)16-63-41(20)67-43-37(55)35(53)33(51)29(12-46)65-43)9-31(49)61-14-19(11-45)22-8-28(48)18(3)25(22)15-62-32(50)10-24-21(7-2)42(64-17-27(24)40(58)60-5)68-44-38(56)36(54)34(52)30(13-47)66-44/h6-7,16-19,22-25,28-30,33-38,41-48,51-56H,8-15H2,1-5H3/b20-6-,21-7-/t18-,19+,22+,23+,24+,25-,28-,29-,30-,33-,34-,35+,36+,37-,38-,41+,42+,43+,44+/m1/s1 |
| InChIKey | DHWFTDJZMBRGBH-BPPTWSAXSA-N |
| Molecular Weight | 976.972 g/mol |
| SMILES | O[C@@]1([C@]([C@](O[C@@]2(OC=C([C@@](CC(OC[C@]3([C@]([C@](COC(C[C@]4(\C([C@](O[C@]5([C@@]([C@]([C@@]([C@](O5)(CO)[H])(O)[H])(O)[H])(O)[H])[H])(OC=C4C(=O)OC)[H])=C/C)[H])=O)(CO)[H])(C[C@]([C@@]3(C)[H])(O)[H])[H])[H])=O)(\C2=C\C)[H])C(=O)OC)[H])(O[C@@]([C@]1(O)[H])(CO)[H])[H])(O)[H])[H] |
| SPLASH | splash10-0a4i-9100000000-41fc0be76ba48ff86c02 |
| Source of Spectrum | QA-48-372-10 |
| Wiley ID | 863445 |