| SpectraBase Spectrum ID |
I2ir0gwQwFM |
| Name |
(7R,8R,9S,13S,14S,17S)-13-methyl-7-(6-sulfanylhexyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol |
| Alternate Name(s) |
(7R,8R,9S,13S,14S,17S)-7-(6-mercaptohexyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H36O2S |
| InChI |
InChI=1S/C24H36O2S/c1-24-12-11-20-19-8-7-18(25)15-17(19)14-16(6-4-2-3-5-13-27)23(20)21(24)9-10-22(24)26/h7-8,15-16,20-23,25-27H,2-6,9-14H2,1H3/t16-,20-,21+,22+,23-,24+/m1/s1 |
| InChIKey |
KQBXJVSXVYGBAK-KTSMFKKLSA-N |
| Molecular Weight |
388.610 g/mol |
| SMILES |
O[C@]1(CC[C@]2([C@]3([C@@](c4ccc(cc4C[C@]3(CCCCCCS)[H])O)(CC[C@]12C)[H])[H])[H])[H] |
| SPLASH |
splash10-0a4r-9006000000-2cb91104b1dda1d996d9 |
| Source of Spectrum |
J-64-8115-16 |
| Wiley ID |
1531377 |
![(7R,8R,9S,13S,14S,17S)-13-methyl-7-(6-sulfanylhexyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol](/api/spectrum/I2ir0gwQwFM/structure.png?h=300&w=458 "(7R,8R,9S,13S,14S,17S)-13-methyl-7-(6-sulfanylhexyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol")
