| SpectraBase Compound ID | J37TkbIFcvN |
|---|---|
| InChI | InChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)/t21?,23?,24-,27?,30?,31?,32?,33?,34?/m1/s1 |
| InChIKey | OBZHEBDUNPOCJG-AMPVDVMISA-N |
| Mol Weight | 570.8 g/mol |
| Molecular Formula | C34H50O7 |
| Exact Mass | 570.355654 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 855uUmk0GMO |
|---|---|
| Name | CARBENOXOLONE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C34H50O7 |
| InChI | InChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)/t21?,23?,24-,27?,30?,31?,32?,33?,34?/m1/s1 |
| InChIKey | OBZHEBDUNPOCJG-AMPVDVMISA-N |
| Instrument Name | DI |
| Molecular Weight | 570.767 g/mol |
| SMILES | OC(C1(CCC2(CCC3(C4(CCC5C([C@](OC(CCC(O)=O)=O)(CCC5(C4C(C=C3C2C1)=O)C)[H])(C)C)C)C)C)C)=O |
| SPLASH | splash10-000f-5921000000-1edf35a7fd411ca400f7 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |