| SpectraBase Spectrum ID |
HeYnf7AtrBn |
| Name |
ESTRA-1,3,5(10)-TRIENE-3,17.ALPHA.-DIOL |
| CAS Registry Number |
57-91-0 |
| 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/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1 |
| InChIKey |
VOXZDWNPVJITMN-SFFUCWETSA-N |
| Molecular Weight |
272.388 g/mol |
| Nominal Mass |
272 u |
| Number of Peaks |
124 |
| SMILES |
O[C@]1([C@]2(CC[C@@]3(c4ccc(cc4CC[C@]3([C@@]2(CC1)[H])[H])O)[H])C)[H] |
| SPLASH |
splash10-00di-1950000000-c2516e31da85ad9644e8 |
| Source File Reference |
LMCM-70527-243D |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
ESTRA-1,3,5(10)-TRIENE-3,17-DIOL
(8R,9S,13S,14S,17R)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol |
| Wiley ID |
4_2081 |
