| SpectraBase Compound ID | 3tiTxlGShig |
|---|---|
| InChI | InChI=1S/C31H50O4/c1-19(2)9-8-10-20(3)24-13-14-25-23-11-12-27-29(35-22(5)33)28(34-21(4)32)16-18-31(27,7)26(23)15-17-30(24,25)6/h12,19-20,23-26,28-29H,8-11,13-18H2,1-7H3/t20-,23+,24-,25+,26+,28+,29-,30-,31-/m1/s1 |
| InChIKey | OFAGQSDJVOSJMA-UOBBBBJHSA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C31H50O4 |
| Exact Mass | 486.37091 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1PSI1n1JDc |
|---|---|
| Name | Cholest-5-en-3.beta.,4.beta.-diyl Diacetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O4 |
| InChI | InChI=1S/C31H50O4/c1-19(2)9-8-10-20(3)24-13-14-25-23-11-12-27-29(35-22(5)33)28(34-21(4)32)16-18-31(27,7)26(23)15-17-30(24,25)6/h12,19-20,23-26,28-29H,8-11,13-18H2,1-7H3/t20-,23+,24-,25+,26+,28+,29-,30-,31-/m1/s1 |
| InChIKey | OFAGQSDJVOSJMA-UOBBBBJHSA-N |
| Molecular Weight | 486.737 g/mol |
| SMILES | C1=2[C@@]([C@]3(CC[C@]4([C@]([C@@]3(CC2)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])(CC[C@@]([C@@]1(OC(=O)C)[H])(OC(=O)C)[H])C |
| SPLASH | splash10-0fsu-0000900000-48db2e7f9a5c317ec1a5 |
| Source of Spectrum | F-65-2777-9 |
| Wiley ID | 1681241 |