| SpectraBase Compound ID | IRB1tvSLAck |
|---|---|
| InChI | InChI=1S/C45H55NO22/c1-19-11-12-28(51)26(15-29(52)59-10)38(54)61-18-44-35(64-23(5)49)31(66-37(19)53)30-33(63-22(4)48)45(44)43(9,58)34(32(62-21(3)47)36(44)65-24(6)50)67-40(56)42(8,57)20(2)25-13-14-46-16-27(25)39(55)60-17-41(30,7)68-45/h13-14,16,19-20,26,30-36,57-58H,11-12,15,17-18H2,1-10H3/t19?,20?,26?,30?,31-,32+,33-,34?,35-,36+,41+,42?,43?,44-,45?/m1/s1 |
| InChIKey | GSBZVVMZYQMZBG-LOXLZMJPSA-N |
| Mol Weight | 961.9 g/mol |
| Molecular Formula | C45H55NO22 |
| Exact Mass | 961.321572 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JNs9fyyUly1 |
|---|---|
| Name | Triptonine B |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C45H55NO22 |
| InChI | InChI=1S/C45H55NO22/c1-19-11-12-28(51)26(15-29(52)59-10)38(54)61-18-44-35(64-23(5)49)31(66-37(19)53)30-33(63-22(4)48)45(44)43(9,58)34(32(62-21(3)47)36(44)65-24(6)50)67-40(56)42(8,57)20(2)25-13-14-46-16-27(25)39(55)60-17-41(30,7)68-45/h13-14,16,19-20,26,30-36,57-58H,11-12,15,17-18H2,1-10H3/t19?,20?,26?,30?,31-,32+,33-,34?,35-,36+,41+,42?,43?,44-,45?/m1/s1 |
| InChIKey | GSBZVVMZYQMZBG-LOXLZMJPSA-N |
| Molecular Weight | 961.920 g/mol |
| SMILES | OC1(C2OC(C(C(c3c(C(OC[C@]4(C5[C@@]6([C@]([C@@](C1([C@@]5(OC(=O)C)[H])O4)([C@@](OC(=O)C)([C@]2(OC(=O)C)[H])[H])COC(C(C(CCC(C(O6)=O)C)=O)CC(=O)OC)=O)(OC(=O)C)[H])[H])C)=O)cncc3)C)(O)C)=O)C |
| SPLASH | splash10-03di-3610000019-d537658bb0f1be23d41c |
| Source of Spectrum | G4-63-361-2 |
| Wiley ID | 1608306 |