| SpectraBase Compound ID | SWhZqVsO3S |
|---|---|
| InChI | InChI=1S/C27H40O8/c1-15(28)33-14-24(31)27(32)11-8-21-19-13-23(35-17(3)30)22-12-18(34-16(2)29)6-9-25(22,4)20(19)7-10-26(21,27)5/h18-23,32H,6-14H2,1-5H3/t18-,19-,20+,21+,22+,23+,25-,26+,27+/m1/s1 |
| InChIKey | NEQOWOMMWXRSDQ-OBGHUKEYSA-N |
| Mol Weight | 492.6 g/mol |
| Molecular Formula | C27H40O8 |
| Exact Mass | 492.272318 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DS6DQbFqJW2 |
|---|---|
| Name | 3α,6α,17,21-tetrahydroxy-5β-pregnan-20-one, 3,6,21-triacetate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H40O8 |
| InChI | InChI=1S/C27H40O8/c1-15(28)33-14-24(31)27(32)11-8-21-19-13-23(35-17(3)30)22-12-18(34-16(2)29)6-9-25(22,4)20(19)7-10-26(21,27)5/h18-23,32H,6-14H2,1-5H3/t18-,19-,20+,21+,22+,23+,25-,26+,27+/m1/s1 |
| InChIKey | NEQOWOMMWXRSDQ-OBGHUKEYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 41696M |
| Solvent | CDCl3 |