![7.alpha.-Acetoxy-3.alpha.-[3',7'-bis( O-acetyl)-(chenodeoxycholoyl)oxy]-23(benzimidazol-2"-yl)nor-cholane](/api/spectrum/2RG7mgr3cCW/structure.png?h=300&w=458 "7.alpha.-Acetoxy-3.alpha.-[3',7'-bis( O-acetyl)-(chenodeoxycholoyl)oxy]-23(benzimidazol-2\"-yl)nor-cholane")
| SpectraBase Compound ID | AnFhzh2vLbP |
|---|---|
| InChI | InChI=1S/C60H88N2O8/c1-34(14-20-53-61-49-12-10-11-13-50(49)62-53)43-16-18-45-55-48(24-28-59(43,45)8)58(7)27-23-42(31-40(58)33-52(55)69-38(5)65)70-54(66)21-15-35(2)44-17-19-46-56-47(25-29-60(44,46)9)57(6)26-22-41(67-36(3)63)30-39(57)32-51(56)68-37(4)64/h10-13,34-35,39-48,51-52,55-56H,14-33H2,1-9H3,(H,61,62)/t34?,35?,39?,40?,41-,42-,43?,44?,45?,46?,47?,48?,51-,52-,55?,56?,57?,58?,59?,60-/m1/s1 |
| InChIKey | XBUPKHYAVYPERC-CJOVMRJQSA-N |
| Mol Weight | 965.4 g/mol |
| Molecular Formula | C60H88N2O8 |
| Exact Mass | 964.654068 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2RG7mgr3cCW |
|---|---|
| Name | 7.alpha.-Acetoxy-3.alpha.-[3',7'-bis( O-acetyl)-(chenodeoxycholoyl)oxy]-23(benzimidazol-2"-yl)nor-cholane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C60H88N2O8 |
| InChI | InChI=1S/C60H88N2O8/c1-34(14-20-53-61-49-12-10-11-13-50(49)62-53)43-16-18-45-55-48(24-28-59(43,45)8)58(7)27-23-42(31-40(58)33-52(55)69-38(5)65)70-54(66)21-15-35(2)44-17-19-46-56-47(25-29-60(44,46)9)57(6)26-22-41(67-36(3)63)30-39(57)32-51(56)68-37(4)64/h10-13,34-35,39-48,51-52,55-56H,14-33H2,1-9H3,(H,61,62)/t34?,35?,39?,40?,41-,42-,43?,44?,45?,46?,47?,48?,51-,52-,55?,56?,57?,58?,59?,60-/m1/s1 |
| InChIKey | XBUPKHYAVYPERC-CJOVMRJQSA-N |
| Molecular Weight | 965.370 g/mol |
| SMILES | [nH]1c2ccccc2nc1CCC(C1C2(C(C3C(C4(C(C[C@](OC(=O)CCC(C5[C@@]6(C(C7[C@@](CC8C(C7CC6)(CC[C@@](OC(=O)C)(C8)[H])C)(OC(=O)C)[H])CC5)C)C)(CC4)[H])C[C@]3(OC(=O)C)[H])C)CC2)CC1)C)C |
| SPLASH | splash10-001j-2900000000-6e8e9e495d1354389de8 |
| Source of Spectrum | G-60-266-0 |
| Synonyms | 7.alpha.-Acetoxy-3.alpha.-[3',7'-bis(O-acetyl)-(chenodeoxycholoyl)oxy]-23(benzimidazol-2''-yl)nor-cholane |
| Wiley ID | 748936 |