| SpectraBase Compound ID | Cu3gLYNCBqL |
|---|---|
| InChI | InChI=1S/C31H50O7/c1-17(2)9-8-10-18(3)22-11-12-23-25-26(24(35)16-29(22,23)6)30(7)14-13-21(34)15-31(30,36)28(38-20(5)33)27(25)37-19(4)32/h17-18,21-24,27-28,34-36H,8-16H2,1-7H3/t18?,21-,22+,23-,24+,27-,28-,29+,30+,31-/m0/s1 |
| InChIKey | PLCXDTMXCFEKKN-JSLBMCCWSA-N |
| Mol Weight | 534.7 g/mol |
| Molecular Formula | C31H50O7 |
| Exact Mass | 534.355654 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LhsmhEhO2cX |
|---|---|
| Name | CHOLEST-8-ENE-3-BETA,5-ALPHA,6-ALPHA,7-ALPHA,10-ALPHA-PENTOL-6,7-DIACETATE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H50O7 |
| InChI | InChI=1S/C31H50O7/c1-17(2)9-8-10-18(3)22-11-12-23-25-26(24(35)16-29(22,23)6)30(7)14-13-21(34)15-31(30,36)28(38-20(5)33)27(25)37-19(4)32/h17-18,21-24,27-28,34-36H,8-16H2,1-7H3/t18?,21-,22+,23-,24+,27-,28-,29+,30+,31-/m0/s1 |
| InChIKey | PLCXDTMXCFEKKN-JSLBMCCWSA-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 | 534.734 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP8817 |