| SpectraBase Compound ID | C39asr3e2Mn |
|---|---|
| InChI | InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1 |
| InChIKey | KXGVEGMKQFWNSR-LLQZFEROSA-N |
| Mol Weight | 392.6 g/mol |
| Molecular Formula | C24H40O4 |
| Exact Mass | 392.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ku9B6B4npTZ |
|---|---|
| Name | 3-ALPHA-12-ALPHA-DIHYDROXY-5-BETA-CHOLAN-24-OIC-ACID,(DESOXYCHOLIC-ACID) |
| CAS Registry Number | 83-44-3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H40O4 |
| InChI | InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1 |
| InChIKey | KXGVEGMKQFWNSR-LLQZFEROSA-N |
| Literature Reference Author | J.W.BLUNT,J.B.STOTHERS |
| Literature Reference Citation | ORG.MAGN.RES.,9,439(1977) |
| Literature Reference DOI | 10.1002/mrc.1270090802 |
| Molecular Weight | 392.579 g/mol |
| Solvent | CD3OD |
| Source File Reference | UNIW112 |