| SpectraBase Spectrum ID |
G6QWbRkxmsJ |
| Name |
3.ALPHA.,17.ALPHA.,21-TRIHYDROXY-5.ALPHA.-PREGNAN-20-ONE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
350.245709571 u |
| 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/t13-,14+,15+,16-,17-,19-,20-,21-/m0/s1 |
| InChIKey |
UPTAPIKFKZGAGM-RBBWHVFISA-N |
| Molecular Weight |
350.499 g/mol |
| Nominal Mass |
350 u |
| Number of Peaks |
129 |
| SMILES |
OCC([C@]1(CC[C@]2([C@@]3(CC[C@]4(C[C@@](CC[C@@]4([C@]3(CC[C@]12C)[H])C)(O)[H])[H])[H])[H])O)=O |
| SPLASH |
splash10-0k96-9752000000-bdd2e7262d770ff80c96 |
| Source File Reference |
LMCM-79479-218A |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
3,17,21-TRIHYDROXYPREGNAN-20-ONE
1-((3R,5S,8R,9S,10S,13S,14S,17R)-3,17-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethanone |
| Wiley ID |
4_112 |
