| SpectraBase Spectrum ID |
20Tclx1thZ0 |
| Name |
3.ALPHA.,6.ALPHA.-DIHYDROXY-5.BETA.-PREGNAN-20-ONE |
| CAS Registry Number |
570-78-5 |
| Copyright |
Copyright © 2011-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
334.250794952 u |
| Formula |
C21H34O3 |
| InChI |
InChI=1S/C21H34O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h13-19,23-24H,4-11H2,1-3H3/t13-,14+,15-,16+,17+,18+,19+,20-,21-/m1/s1 |
| InChIKey |
HHUZGDMRRLQZIQ-PXWUZWBYSA-N |
| Molecular Weight |
334.500 g/mol |
| Nominal Mass |
334 u |
| Number of Peaks |
136 |
| SMILES |
O[C@]1(C[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@@]2([C@]2(CC[C@](C[C@@]12[H])(O)[H])C)[H])C)(C(C)=O)[H])[H])[H])[H] |
| SPLASH |
splash10-00kg-9431000000-da2b356c5fcfa95c33ed |
| Source File Reference |
LMCM-78931-067X |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
3,6-DIHYDROXYPREGNAN-20-ONE
1-((3R,5R,6S,8R,9S,10R,13S,14S,17S)-3,6-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone |
| Wiley ID |
4_340 |
