| SpectraBase Compound ID | 5k0OMcJy6Ic |
|---|---|
| InChI | InChI=1S/C28H36O7/c1-17(29)26(32)13-14-28(34)25(26,3)22(35-23(31)18-7-5-4-6-8-18)16-21-24(2)11-10-20(30)15-19(24)9-12-27(21,28)33/h4-9,20-22,30,32-34H,10-16H2,1-3H3 |
| InChIKey | XESLPBJMIWFAMZ-UHFFFAOYSA-N |
| Mol Weight | 484.6 g/mol |
| Molecular Formula | C28H36O7 |
| Exact Mass | 484.246103 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | L2LTWREoxRY |
|---|---|
| Name | 14.beta.,17.alpha.-Pregn-5-en-20-one, 3.beta.,8,12.beta.,14,17-pentahydroxy-, 12-benzoate |
| Alternate Name(s) | 3,8,14,17-Tetrahydroxy-20-oxopregn-5-en-12-yl benzoate (17-acetyl-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl) benzoate benzoic acid (17-acetyl-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl) ester |
| CAS Registry Number | 19308-44-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H36O7 |
| InChI | InChI=1S/C28H36O7/c1-17(29)26(32)13-14-28(34)25(26,3)22(35-23(31)18-7-5-4-6-8-18)16-21-24(2)11-10-20(30)15-19(24)9-12-27(21,28)33/h4-9,20-22,30,32-34H,10-16H2,1-3H3 |
| InChIKey | XESLPBJMIWFAMZ-UHFFFAOYSA-N |
| Molecular Weight | 484.589 g/mol |
| SMILES | OC12CC=C3CC(CCC3(C2CC(C2(C1(CCC2(C(C)=O)O)O)C)OC(c1ccccc1)=O)C)O |
| SPLASH | splash10-0l93-7922000000-da569481be09d71be34f |
| Source of Spectrum | T-68-5401-0 |
| Wiley ID | 62410 |