| SpectraBase Spectrum ID |
7sc09outlzo |
| Name |
6.alpha.-Ethynyl-A-homo-B-nor-3.alpha.,5-cyclo-5.alpha.-cholestane-6.beta.-ol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H46O |
| InChI |
InChI=1S/C29H46O/c1-7-28(30)17-21-13-16-27(6)25-14-15-26(5)23(20(4)10-8-9-19(2)3)11-12-24(26)22(25)18-29(21,27)28/h1,19-25,30H,8-18H2,2-6H3/t20-,21-,22?,23-,24+,25?,26-,27-,28+,29+/m1/s1 |
| InChIKey |
XRXKIDDJSKQPGJ-HLJNZDLRSA-N |
| Molecular Weight |
410.686 g/mol |
| SMILES |
O[C@@]1([C@]23[C@@](C4CC[C@]5([C@](C4C3)(CC[C@@]5([C@@](CCCC(C)C)(C)[H])[H])[H])C)(CC[C@@]2(C1)[H])C)C#C |
| SPLASH |
splash10-0006-0009200000-2ad265f14c3b3cd5a39e |
| Source of Spectrum |
J-64-119-42 |
| Synonyms |
6.alpha.-Ethynyl-A-homo-B-nor-3.alpha.,5-cyclo-5.alpha.-cholestan-6.beta.-ol |
| Wiley ID |
1529173 |
