| SpectraBase Compound ID | DG52d7BGPEU |
|---|---|
| InChI | InChI=1S/C29H48O3/c1-18-8-12-22-26(2,3)24(31)14-16-28(22,6)19(18)9-10-20-21(30)11-13-23-27(4,5)25(32)15-17-29(20,23)7/h19-20,22-25,31-32H,1,8-17H2,2-7H3/t19-,20?,22?,23?,24-,25-,28+,29?/m0/s1 |
| InChIKey | DVVFWIFZKRQOJA-WYXILWBYSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C29H48O3 |
| Exact Mass | 444.360345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 22PjaPpTEFB |
|---|---|
| Name | 3.beta.,21.alpha.-Dihydroxy-26-nor-8,14-seco-gamma-ser-14(27-en)-8-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 444.360345403 u |
| Formula | C29H48O3 |
| InChI | InChI=1S/C29H48O3/c1-18-8-12-22-26(2,3)24(31)14-16-28(22,6)19(18)9-10-20-21(30)11-13-23-27(4,5)25(32)15-17-29(20,23)7/h19-20,22-25,31-32H,1,8-17H2,2-7H3/t19-,20?,22?,23?,24-,25-,28+,29?/m0/s1 |
| InChIKey | DVVFWIFZKRQOJA-WYXILWBYSA-N |
| Molecular Weight | 444.700 g/mol |
| SMILES | [C@@]12(C(C(C)(C)[C@](CC2)(O)[H])CCC([C@@]1(CCC1C2(C(C(C)(C)[C@](CC2)(O)[H])CCC1=O)C)[H])=C)C |