SpectraBase Spectrum ID |
ATZETheK85O |
Name |
3,17.ALPHA.-DIHYDROXY-ESTRA-1,3,5(10)-TRIENE |
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 |
74 |
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-6970000000-639e7286617e421ac193 |
Source File Reference |
LMCM-12346-876Q |
Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
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_399 |