| SpectraBase Spectrum ID |
HifZvBkqBBT |
| Name |
17-HYDROXY-8.ALPHA.,17.BETA.-ESTRA-4,9-DIEN-3-ONE |
| CAS Registry Number |
4019-90-3 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
272.177630011 u |
| Formula |
C18H24O2 |
| InChI |
InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,15-17,20H,2-9H2,1H3/t15-,16-,17-,18-/m0/s1 |
| InChIKey |
PUQSDJZESAQGQS-XSLAGTTESA-N |
| Molecular Weight |
272.388 g/mol |
| Nominal Mass |
272 u |
| Number of Peaks |
201 |
| SMILES |
O[C@]1(CC[C@]2([C@]3(CCC4=CC(CCC4=C3CC[C@]12C)=O)[H])[H])[H] |
| SPLASH |
splash10-03kl-4930000000-3e4f226cf4f431e46361 |
| Source File Reference |
LMCM-44918-150D |
| Source of Spectrum |
Prof. J. Seibl; ETH Zurich, Switzerland |
| Synonyms |
17-HYDROXYESTRA-4,9-DIEN-3-ONE
(10R,11S,14S,15S)-14-hydroxy-15-methyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-1,6-dien-5-one
(8R,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,11,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3(2H)-one |
| Wiley ID |
8_18514 |
