| SpectraBase Compound ID | 581PRECwZvm |
|---|---|
| InChI | InChI=1S/C45H55NO21/c1-19-13-14-28(51)27(16-29(52)58-10)41(56)60-18-44-36(63-24(6)49)32(65-38(19)53)30-34(62-23(5)48)45(44)43(9,57)35(33(61-22(4)47)37(44)64-25(7)50)66-39(54)21(3)20(2)31-26(12-11-15-46-31)40(55)59-17-42(30,8)67-45/h11-12,15,19-21,27,30,32-37,57H,13-14,16-18H2,1-10H3/t19-,20?,21?,27+,30+,32+,33-,34+,35-,36+,37-,42-,43-,44+,45-/m0/s1 |
| InChIKey | GHLDKPNDMMVFDQ-GSOOXVEFSA-N |
| Mol Weight | 945.9 g/mol |
| Molecular Formula | C45H55NO21 |
| Exact Mass | 945.326658 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ghc47WHbVH9 |
|---|---|
| Name | Triptonine A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C45H55NO21 |
| InChI | InChI=1S/C45H55NO21/c1-19-13-14-28(51)27(16-29(52)58-10)41(56)60-18-44-36(63-24(6)49)32(65-38(19)53)30-34(62-23(5)48)45(44)43(9,57)35(33(61-22(4)47)37(44)64-25(7)50)66-39(54)21(3)20(2)31-26(12-11-15-46-31)40(55)59-17-42(30,8)67-45/h11-12,15,19-21,27,30,32-37,57H,13-14,16-18H2,1-10H3/t19-,20?,21?,27+,30+,32+,33-,34+,35-,36+,37-,42-,43-,44+,45-/m0/s1 |
| InChIKey | GHLDKPNDMMVFDQ-GSOOXVEFSA-N |
| Molecular Weight | 945.921 g/mol |
| SMILES | O[C@@]1([C@]23[C@@]45[C@@](OC(=O)C)([C@]([C@@]1(OC(C(C(C)c1c(C(OC[C@@](O3)(C)[C@@]([C@]2(OC(=O)C)[H])([C@@](OC(=O)[C@](CCC([C@](C(OC5)=O)(CC(=O)OC)[H])=O)(C)[H])([C@]4(OC(=O)C)[H])[H])[H])=O)cccn1)C)=O)[H])(OC(=O)C)[H])[H])C |
| SPLASH | splash10-0a4j-3960000038-5a1fe11057ac188bbe8b |
| Source of Spectrum | AT-40-2972-1 |
| Wiley ID | 854477 |