| SpectraBase Spectrum ID |
C3lEvQSgRlP |
| Name |
7H-Benz[e]inden-7-one, 3-acetyl-6-(2-butynyl)dodecahydro-3a,6-dimethyl-, [3S-(3.alpha.,3a.alpha.,5a.beta.,6.beta.,9a.alpha.,9b.beta.)]- |
| Alternate Name(s) |
(3S,3aS,5aS,6R,9aS,9bS)-3-acetyl-6-(2-butynyl)-3a,6-dimethyldodecahydro-7H-cyclopenta[a]naphthalen-7-one
4,5-Secopregn-2-yne-5,20-dione |
| CAS Registry Number |
81940-94-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30O2 |
| InChI |
InChI=1S/C21H30O2/c1-5-6-12-21(4)18-11-13-20(3)16(14(2)22)8-9-17(20)15(18)7-10-19(21)23/h15-18H,7-13H2,1-4H3/t15-,16+,17-,18-,20+,21+/m0/s1 |
| InChIKey |
PDPCXZARYTZUKU-ZTEVBBAKSA-N |
| Molecular Weight |
314.469 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CCC([C@@]([C@]3(CC2)[H])(CC#CC)C)=O)[H])(CC[C@@]1(C(=O)C)[H])[H])C |
| SPLASH |
splash10-0229-0927000000-65f568697bc25d42eb7b |
| Source of Spectrum |
KC-1982-515-0 |
| Wiley ID |
1315579 |
![7H-Benz[e]inden-7-one, 3-acetyl-6-(2-butynyl)dodecahydro-3a,6-dimethyl-, [3S-(3.alpha.,3a.alpha.,5a.beta.,6.beta.,9a.alpha.,9b.beta.)]-](/api/spectrum/C3lEvQSgRlP/structure.png?h=300&w=458 "7H-Benz[e]inden-7-one, 3-acetyl-6-(2-butynyl)dodecahydro-3a,6-dimethyl-, [3S-(3.alpha.,3a.alpha.,5a.beta.,6.beta.,9a.alpha.,9b.beta.)]-")
