| SpectraBase Spectrum ID |
9ffqxBY5DSV |
| Name |
21-Hydroxypregn-4-ene-3,11,20-trione, phenyl carbonate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
464.219888744 u |
| Formula |
C28H32O6 |
| InChI |
InChI=1S/C28H32O6/c1-27-13-12-18(29)14-17(27)8-9-20-21-10-11-22(28(21,2)15-23(30)25(20)27)24(31)16-33-26(32)34-19-6-4-3-5-7-19/h3-7,14,20-22,25H,8-13,15-16H2,1-2H3/t20-,21-,22+,25+,27-,28-/m0/s1 |
| InChIKey |
YMBRGZLQIKJVNQ-WWKVSEOQSA-N |
| Molecular Weight |
464.558 g/mol |
| SMILES |
C1(=O)[C@]2([C@@](CCC=3[C@@]2(CCC(C3)=O)C)([C@]2([C@](C1)([C@](CC2)(C(=O)COC(=O)OC=1C=CC=CC1)[H])C)[H])[H])[H] |
