| SpectraBase Compound ID | EiSkGdzlYgc |
|---|---|
| InChI | InChI=1S/C30H44N2O3/c1-17(8-11-27-31-23-6-4-5-7-24(23)32-27)20-9-10-21-28-22(16-26(35)30(20,21)3)29(2)13-12-19(33)14-18(29)15-25(28)34/h4-7,17-22,25-26,28,33-35H,8-16H2,1-3H3,(H,31,32)/t17?,18?,19-,20?,21?,22?,25-,26+,28?,29?,30?/m1/s1 |
| InChIKey | QUUAAKWUPMBTCD-ODFIPCJZSA-N |
| Mol Weight | 480.7 g/mol |
| Molecular Formula | C30H44N2O3 |
| Exact Mass | 480.335193 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GXFPcsdgxPK |
|---|---|
| Name | 23-(Benzimidazol-2'-yl)nor-cholan-3.alpha.,7.alpha.,12.alpha.-triol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H44N2O3 |
| InChI | InChI=1S/C30H44N2O3/c1-17(8-11-27-31-23-6-4-5-7-24(23)32-27)20-9-10-21-28-22(16-26(35)30(20,21)3)29(2)13-12-19(33)14-18(29)15-25(28)34/h4-7,17-22,25-26,28,33-35H,8-16H2,1-3H3,(H,31,32)/t17?,18?,19-,20?,21?,22?,25-,26+,28?,29?,30?/m1/s1 |
| InChIKey | QUUAAKWUPMBTCD-ODFIPCJZSA-N |
| Molecular Weight | 480.693 g/mol |
| SMILES | O[C@]1(CC2C(C3C(C4C(C(C(CCc5nc6ccccc6[nH]5)C)CC4)([C@](C3)(O)[H])C)[C@@](C2)(O)[H])(CC1)C)[H] |
| SPLASH | splash10-000t-2900000000-27b3b882292799ec2d54 |
| Source of Spectrum | G-60-264-0 |
| Wiley ID | 748939 |