SpectraBase Spectrum ID |
1Pr6sJNoIa |
Name |
7.alpha.-(9-Hydroxynonyl)estra-1,3,5(10)-triene-3,16.beta.,17.beta.-triol |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C27H42O4 |
InChI |
InChI=1S/C27H42O4/c1-27-13-12-22-21-11-10-20(29)16-19(21)15-18(9-7-5-3-2-4-6-8-14-28)25(22)23(27)17-24(30)26(27)31/h10-11,16,18,22-26,28-31H,2-9,12-15,17H2,1H3/t18-,22-,23+,24+,25-,26+,27+/m1/s1 |
InChIKey |
WASRTTLZKABNFZ-JFTXAMKCSA-N |
Molecular Weight |
430.629 g/mol |
SMILES |
O[C@]1([C@](C[C@]2([C@]3([C@@](c4ccc(cc4C[C@]3(CCCCCCCCCO)[H])O)(CC[C@]12C)[H])[H])[H])(O)[H])[H] |
SPLASH |
splash10-053r-0501900000-f7b1d0ef5da53015418f |
Source of Spectrum |
K-2002-2278-10 |
Synonyms |
(7alpha,16beta,17beta)-7-(9-hydroxynonyl)estra-1,3,5(10)-triene-3,16,17-triol |
Wiley ID |
1613185 |