| SpectraBase Spectrum ID |
4Meh12kk177 |
| Name |
Cyclobuta[a]phenanthrene, D-norandrostan-16-ol deriv. |
| CAS Registry Number |
112251-11-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H33ClO2 |
| InChI |
InChI=1S/C25H33ClO2/c1-24-12-4-3-7-17(24)9-10-19-20(24)11-13-25(2)21(19)15-22(25)28-23(27)16-6-5-8-18(26)14-16/h5-6,8,14,17,19-22H,3-4,7,9-13,15H2,1-2H3/t17-,19-,20+,21+,22-,24+,25-/m1/s1 |
| InChIKey |
FNAAOYXRKOJRJE-JLRZMTAFSA-N |
| Molecular Weight |
400.990 g/mol |
| SMILES |
[C@@]12([C@](CC[C@]3([C@]2(CC[C@]2(CCCC[C@]32C)[H])[H])[H])(C)[C@@](C1)(OC(c1cc(Cl)ccc1)=O)[H])[H] |
| SPLASH |
splash10-0udi-0000900000-143b412b3e6c59bedbfb |
| Source of Spectrum |
KC-1987-1252-30 |
| Synonyms |
D-Norandrostan-16-ol, 3-chlorobenzoate, (5.alpha.,13.alpha.,16.alpha.)-
(1R,2aS,2bR,4aR,8aS,8bS,10aR)-8a,10a-dimethylhexadecahydrocyclobuta[a]phenanthren-1-yl 3-chlorobenzoate
17-nor-5.alpha.,13.alpha.-androstan-16.alpha.-yl m-chlorobenzoate |
| Wiley ID |
1369581 |
![Cyclobuta[a]phenanthrene, D-norandrostan-16-ol deriv.](/api/spectrum/4Meh12kk177/structure.png?h=300&w=458 "Cyclobuta[a]phenanthrene, D-norandrostan-16-ol deriv.")
