| SpectraBase Compound ID | 97ZwTc15Bvr |
|---|---|
| InChI | InChI=1S/C33H52O2/c1-6-22(3)27-15-16-28-25-14-13-24-19-31(35-21-23-11-9-8-10-12-23)26(30(34)7-2)20-33(24,5)29(25)17-18-32(27,28)4/h8-12,22,24-31,34H,6-7,13-21H2,1-5H3/t22-,24-,25+,26?,27?,28+,29+,30?,31+,32-,33+/m1/s1 |
| InChIKey | TUNVGQMSRKJGPR-OILYRMTJSA-N |
| Mol Weight | 480.8 g/mol |
| Molecular Formula | C33H52O2 |
| Exact Mass | 480.396731 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HOtROeyMPRi |
|---|---|
| Name | 2'-(3.alpha.-Benzyloxy-5.beta.-norcholan)propan-2'-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 480.396730912 u |
| Formula | C33H52O2 |
| InChI | InChI=1S/C33H52O2/c1-6-22(3)27-15-16-28-25-14-13-24-19-31(35-21-23-11-9-8-10-12-23)26(30(34)7-2)20-33(24,5)29(25)17-18-32(27,28)4/h8-12,22,24-31,34H,6-7,13-21H2,1-5H3/t22-,24-,25+,26?,27?,28+,29+,30?,31+,32-,33+/m1/s1 |
| InChIKey | TUNVGQMSRKJGPR-OILYRMTJSA-N |
| Molecular Weight | 480.777 g/mol |
| SMILES | [C@@]12([C@@]3([C@@]([C@@]4(CCC([C@]4(CC3)C)[C@@](CC)(C)[H])[H])([H])CC[C@@]2(C[C@](OCC=2C=CC=CC2)(C(C1)C(O)CC)[H])[H])[H])C |