| SpectraBase Compound ID | 3l3oWFzcqpJ |
|---|---|
| InChI | InChI=1S/C29H46O5/c1-17(2)8-7-9-18(3)21-10-11-22-23-14-24(33-19(4)30)28(32)15-20(31)12-13-27(28,6)29(23)25(34-29)16-26(21,22)5/h14,17-18,20-22,24-25,31-32H,7-13,15-16H2,1-6H3/t18?,20-,21+,22-,24-,25+,26+,27-,28-,29-/m0/s1 |
| InChIKey | CEJPYZZCYLZKRP-KFIYPERLSA-N |
| Mol Weight | 474.7 g/mol |
| Molecular Formula | C29H46O5 |
| Exact Mass | 474.334525 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 18ME30LH3sA |
|---|---|
| Name | 9-ALPHA,11-ALPHA-EPOXYCHOLEST-7-ENE-3-BETA,5-ALPHA,6-ALPHA-TRIOL-6-ACETATE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H46O5 |
| InChI | InChI=1S/C29H46O5/c1-17(2)8-7-9-18(3)21-10-11-22-23-14-24(33-19(4)30)28(32)15-20(31)12-13-27(28,6)29(23)25(34-29)16-26(21,22)5/h14,17-18,20-22,24-25,31-32H,7-13,15-16H2,1-6H3/t18?,20-,21+,22-,24-,25+,26+,27-,28-,29-/m0/s1 |
| InChIKey | CEJPYZZCYLZKRP-KFIYPERLSA-N |
| Literature Reference Author | P.D.A.LEONE,J.REDBURN,J.N.A.HOOPER,R.J.QUINN |
| Literature Reference Citation | J.NAT.PROD.,63,694(2000) |
| Literature Reference DOI | 10.1021/np9904657 |
| Molecular Weight | 474.681 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP8819 |