| SpectraBase Compound ID | 7CEKwdofM8 |
|---|---|
| InChI | InChI=1S/C34H56O6/c1-18(2)19(3)8-9-20(4)28-27(35)17-26-24-11-10-22-16-23(40-32-31(38)30(37)29(36)21(5)39-32)12-14-33(22,6)25(24)13-15-34(26,28)7/h10,18,20-21,23-32,35-38H,3,8-9,11-17H2,1-2,4-7H3/t20?,21?,23-,24?,25?,26?,27-,28?,29?,30?,31?,32?,33-,34-/m0/s1 |
| InChIKey | AZOQCLUPGYXSJW-VJIQJSCRSA-N |
| Mol Weight | 560.8 g/mol |
| Molecular Formula | C34H56O6 |
| Exact Mass | 560.40769 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | InTOaoN422b |
|---|---|
| Name | 24-Methylenecholest-5-en-3.beta.,16.beta.-diol-3-o-.alpha.,L-fucoside |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 560.407689517 u |
| Formula | C34H56O6 |
| InChI | InChI=1S/C34H56O6/c1-18(2)19(3)8-9-20(4)28-27(35)17-26-24-11-10-22-16-23(40-32-31(38)30(37)29(36)21(5)39-32)12-14-33(22,6)25(24)13-15-34(26,28)7/h10,18,20-21,23-32,35-38H,3,8-9,11-17H2,1-2,4-7H3/t20?,21?,23-,24?,25?,26?,27-,28?,29?,30?,31?,32?,33-,34-/m0/s1 |
| InChIKey | AZOQCLUPGYXSJW-VJIQJSCRSA-N |
| Molecular Weight | 560.816 g/mol |
| SMILES | [C@@]12(C(C3CC=C4[C@@](C3CC2)(CC[C@](OC2C(C(O)C(C(O2)C)O)O)(C4)[H])C)C[C@@](C1C(CCC(=C)C(C)C)C)(O)[H])C |