| SpectraBase Compound ID | 4vmKvj5gG8x |
|---|---|
| InChI | InChI=1S/C21H32O6/c1-11(22)14-6-9-21(27)19(14,3)17(25)15(24)16-18(2)7-5-13(23)10-12(18)4-8-20(16,21)26/h4,13-17,23-27H,5-10H2,1-3H3 |
| InChIKey | LJLXEAWGZFDUAP-UHFFFAOYSA-N |
| Mol Weight | 380.5 g/mol |
| Molecular Formula | C21H32O6 |
| Exact Mass | 380.219889 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ZmczoFDeyc |
|---|---|
| Name | 3,8,11,12,14-Pentahydroxypregn-5-en-20-one |
| CAS Registry Number | 22149-67-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H32O6 |
| InChI | InChI=1S/C21H32O6/c1-11(22)14-6-9-21(27)19(14,3)17(25)15(24)16-18(2)7-5-13(23)10-12(18)4-8-20(16,21)26/h4,13-17,23-27H,5-10H2,1-3H3 |
| InChIKey | LJLXEAWGZFDUAP-UHFFFAOYSA-N |
| Molecular Weight | 380.481 g/mol |
| SMILES | OC12C3(C(C(C(C2C2(C)C(=CC1)CC(CC2)O)O)O)(C(CC3)C(C)=O)C)O |
| SPLASH | splash10-01ox-6955000000-396beceb994a66ca09e7 |
| Source of Spectrum | H-55-1235-10 |
| Synonyms | .beta.-Marsdenin 1-(3,8,11,12,14-pentahydroxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone Pregn-5-en-20-one, 3,8,11,12,14-pentahydroxy-, (3.beta.,11.alpha.,12.beta.,14.beta.)- Pregn-5-en-20-one, 3,8,11,12,14-pentahydroxy-, (3.beta.,11.alpha.,12.beta.,14.beta.,17.alpha.)- 1-[10,13-dimethyl-3,8,11,12,14-pentakis(oxidanyl)-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone 14.beta.,17.alpha.-Pregn-5-en-20-one, 3.beta.,8,11.alpha.,12.beta.,14-pentahydroxy- 14.beta.-Pregn-5-en-20-one, 3.beta.,8,11.alpha.,12.beta.,14-pentahydroxy- 17.alpha.-Marsdenin 17.beta.-Marsdenin Marsdenin |
| Wiley ID | 1359725 |