| SpectraBase Spectrum ID |
AZXZA1wZn5Q |
| Name |
3.ALPHA.,17.ALPHA.,20.ALPHA.,21-TETRAHYDROXY-5.BETA.-PREGNAN-11-ONE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
366.240624190 u |
| Formula |
C21H34O5 |
| InChI |
InChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,17-18,22-23,25-26H,3-11H2,1-2H3/t12-,13-,14+,15+,17-,18-,19+,20+,21+/m1/s1 |
| InChIKey |
JXCOSKURGJMQSG-AIEJOZITSA-N |
| Molecular Weight |
366.498 g/mol |
| Nominal Mass |
366 u |
| Number of Peaks |
180 |
| SMILES |
OC[C@]([C@]1(CC[C@]2([C@@]3(CC[C@@]4(C[C@@](CC[C@@]4([C@]3(C(C[C@]12C)=O)[H])C)(O)[H])[H])[H])[H])O)(O)[H] |
| SPLASH |
splash10-0a4u-8943000000-69ad0dcc2ff3c91126d7 |
| Source File Reference |
LMCM-43890-428L |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
3,17,20,21-TETRAHYDROXYPREGNAN-11-ONE
(3R,5R,8S,9S,10S,13S,14S,17R)-17-((R)-1,2-dihydroxyethyl)-3,17-dihydroxy-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-11(2H)-one |
| Wiley ID |
4_220 |
