| SpectraBase Spectrum ID |
9zAgTYAKDvf |
| Name |
3,17.beta.-Dihydroxy-17.alpha.-(tert-butylbenzyl)estra-1,3,5(10)-triene |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H38O2 |
| InChI |
InChI=1S/C29H38O2/c1-27(2,3)21-8-5-19(6-9-21)18-29(31)16-14-26-25-11-7-20-17-22(30)10-12-23(20)24(25)13-15-28(26,29)4/h5-6,8-10,12,17,24-26,30-31H,7,11,13-16,18H2,1-4H3/t24-,25-,26+,28+,29-/m1/s1 |
| InChIKey |
IOHXXLQQJOJOLB-WXJBELMVSA-N |
| Molecular Weight |
418.621 g/mol |
| SMILES |
Oc1ccc2c(CC[C@]3([C@]4([C@@]([C@@](CC4)(Cc4ccc(C(C)(C)C)cc4)O)(CC[C@]23[H])C)[H])[H])c1 |
| SPLASH |
splash10-0pis-3960100000-1b9db28f0585e440ae4b |
| Source of Spectrum |
F2-42-2284-3 |
| Synonyms |
(17beta)-17-(4-tert-butylbenzyl)estra-1,3,5(10)-triene-3,17-diol
(8R,9S,13S,14S,17R)-17-[(4-tert-butylphenyl)methyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol |
| Wiley ID |
1600158 |
