| SpectraBase Spectrum ID |
LvhjyM4TFXj |
| Name |
Spiro[Androsta-1,4-diene-3,2'-(1,3)benzodithiol]-17-one |
| Alternate Name(s) |
(1'S,2'R,10'R,11'S,15'S)-2',15'-dimethylspiro[1,3-benzodithiole-2,5'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane]-3',6'-dien-14'-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H28OS2 |
| InChI |
InChI=1S/C25H28OS2/c1-23-13-14-25(27-20-5-3-4-6-21(20)28-25)15-16(23)7-8-17-18-9-10-22(26)24(18,2)12-11-19(17)23/h3-6,13-15,17-19H,7-12H2,1-2H3/t17-,18-,19-,23-,24-/m0/s1 |
| InChIKey |
YHJLNCWRYRNLEG-QKIJQESPSA-N |
| Molecular Weight |
408.618 g/mol |
| SMILES |
C12(Sc3ccccc3S2)C=C2CC[C@]3([C@@]4(CCC([C@]4(CC[C@@]3([C@]2(C=C1)C)[H])C)=O)[H])[H] |
| SPLASH |
splash10-0a4i-0140900000-5fd5cb94471142ad1e7f |
| Source of Spectrum |
U-1993-14-4 |
| Wiley ID |
764819 |
![Spiro[Androsta-1,4-diene-3,2'-(1,3)benzodithiol]-17-one](/api/spectrum/LvhjyM4TFXj/structure.png?h=300&w=458 "Spiro[Androsta-1,4-diene-3,2'-(1,3)benzodithiol]-17-one")
