| SpectraBase Spectrum ID |
IT7oM27DtaE |
| Name |
3.alpha.,17.alpha.,21-trihydroxypregn-20-one |
| Alternate Name(s) |
5.beta.-pregnane-3.alpha.,17.alpha.,21-triol-20-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H34O4 |
| InChI |
InChI=1S/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3 |
| InChIKey |
UPTAPIKFKZGAGM-UHFFFAOYSA-N |
| Ionization Type |
EI-B |
| Molecular Weight |
350.499 g/mol |
| SMILES |
OCC(C1(C2(C(C3C(C4(C(CC(CC4)O)CC3)C)CC2)CC1)C)O)=O |
| SPLASH |
splash10-00vi-1691000000-ad4bf7a235771afbfbf4 |
| Source of Spectrum |
SRH-2022-9699-0 |
| Wiley ID |
1831346 |
