SpectraBase Compound ID | 31aEGaI5DDt |
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InChI | InChI=1S/C29H46O3/c1-4-5-6-7-8-9-10-21-11-12-23-22-13-16-29(31)19-25-20(17-26(30)32-25)18-28(29,3)24(22)14-15-27(21,23)2/h17,21-25,31H,4-16,18-19H2,1-3H3/t21?,22?,23?,24?,25-,27-,28-,29-/m1/s1 |
InChIKey | MSJBOJFDUYGYNA-AVOUKUNXSA-N |
Mol Weight | 442.7 g/mol |
Molecular Formula | C29H46O3 |
Exact Mass | 442.344695 g/mol |
SpectraBase Spectrum ID | 6GQMSuPPYS2 |
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Name | 3.alpha.H-2'-Oxofurano[2,3]cholestan-5.alpha.-ol |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C29H46O3 |
InChI | InChI=1S/C29H46O3/c1-4-5-6-7-8-9-10-21-11-12-23-22-13-16-29(31)19-25-20(17-26(30)32-25)18-28(29,3)24(22)14-15-27(21,23)2/h17,21-25,31H,4-16,18-19H2,1-3H3/t21?,22?,23?,24?,25-,27-,28-,29-/m1/s1 |
InChIKey | MSJBOJFDUYGYNA-AVOUKUNXSA-N |
Molecular Weight | 442.684 g/mol |
SMILES | O[C@@]12[C@@](C3C(C4CCC([C@]4(CC3)C)CCCCCCCC)CC2)(CC=2[C@](OC(C2)=O)(C1)[H])C |
SPLASH | splash10-00di-0000900000-497add34dac7e69053d9 |
Source of Spectrum | J-59-4399-5 |
Wiley ID | 1385526 |