![Spiro[cholestanone3,4'-2'-methylenebutyrolactone]](/api/spectrum/JhuEgrBucKZ/structure.png?h=300&w=458 "Spiro[cholestanone3,4'-2'-methylenebutyrolactone]")
| SpectraBase Compound ID | DDECuFlFpVD |
|---|---|
| InChI | InChI=1S/C31H50O2/c1-20(2)8-7-9-21(3)25-12-13-26-24-11-10-23-19-31(18-22(4)28(32)33-31)17-16-29(23,5)27(24)14-15-30(25,26)6/h20-21,23-27H,4,7-19H2,1-3,5-6H3/t21-,23?,24+,25-,26+,27+,29+,30-,31?/m1/s1 |
| InChIKey | AERHKQHYAJAIQJ-PEUPNJGYSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C31H50O2 |
| Exact Mass | 454.381081 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JhuEgrBucKZ |
|---|---|
| Name | Spiro[cholestanone3,4'-2'-methylenebutyrolactone] |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O2 |
| InChI | InChI=1S/C31H50O2/c1-20(2)8-7-9-21(3)25-12-13-26-24-11-10-23-19-31(18-22(4)28(32)33-31)17-16-29(23,5)27(24)14-15-30(25,26)6/h20-21,23-27H,4,7-19H2,1-3,5-6H3/t21-,23?,24+,25-,26+,27+,29+,30-,31?/m1/s1 |
| InChIKey | AERHKQHYAJAIQJ-PEUPNJGYSA-N |
| Molecular Weight | 454.739 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])(CCC2(C4)OC(=O)C(C2)=C)C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH | splash10-05mo-9110100000-c2633d1a27e9cf20735e |
| Source of Spectrum | F-55-10787-3 |
| Synonyms | Spiro[cholestanone-3-methylenebutyrolactone] (8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3'-methylene-17-[(2R)-6-methylheptan-2-yl]-2'-spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5'-oxolane]one (8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3'-methylidenespiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5'-oxolane]-2'-one (8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3'-methylidene-spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5'-oxolane]-2'-one |
| Wiley ID | 839189 |