| SpectraBase Compound ID | 9CegcGIf2oc |
|---|---|
| InChI | InChI=1S/C28H38O8S/c1-16-5-7-19(8-6-16)37(34,35)36-18-9-11-25(3)21-10-12-26(4)22(14-24(31)28(26,33)17(2)29)20(21)13-23(30)27(25,32)15-18/h5-8,18,20-22,24,31-33H,9-15H2,1-4H3/t18-,20+,21-,22-,24+,25+,26-,27-,28+/m0/s1 |
| InChIKey | BAYALFWQVDSCFG-GKZMJKJBSA-N |
| Mol Weight | 534.7 g/mol |
| Molecular Formula | C28H38O8S |
| Exact Mass | 534.228739 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9p6o5NUStuZ |
|---|---|
| Name | 5,16-ALPHA,17-ALPHA-TRIHYDROXY-3-BETA-TOSYLOXY-5-ALPHA-PREGNA-6,20-DIONE |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H38O8S |
| InChI | InChI=1S/C28H38O8S/c1-16-5-7-19(8-6-16)37(34,35)36-18-9-11-25(3)21-10-12-26(4)22(14-24(31)28(26,33)17(2)29)20(21)13-23(30)27(25,32)15-18/h5-8,18,20-22,24,31-33H,9-15H2,1-4H3/t18-,20+,21-,22-,24+,25+,26-,27-,28+/m0/s1 |
| InChIKey | BAYALFWQVDSCFG-GKZMJKJBSA-N |
| Literature Reference Author | D.G.RIVERA,F.COLL |
| Literature Reference Citation | CAN.J.CHEM.,83,1084(2005) |
| Literature Reference DOI | 10.1139/v05-051 |
| Molecular Weight | 534.665 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU30251 |