| SpectraBase Compound ID | GSuBQQon3NA |
|---|---|
| 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-IYXZENIWSA-N |
| Mol Weight | 410.7 g/mol |
| Molecular Formula | C29H46O |
| Exact Mass | 410.354866 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kvp8Gax17ab |
|---|---|
| Name | 6-ALPHA-ETHYNYL-A-HOMO-B-NOR-3-ALPHA,5-CYCLO-5-ALPHA-CHOLESTAN-6-BETA-OL |
| Compound Number | 42 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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-IYXZENIWSA-N |
| Literature Reference Author | P.KOCOVSKY,V.DUNN,A.GOGOLL,V.LANGER |
| Literature Reference Citation | J.ORG.CHEM.,64,101(1999) |
| Literature Reference DOI | 10.1021/jo9812882 |
| Molecular Weight | 410.684 g/mol |
| Sample ID | 39171 |
| Solvent | CDCl3 |