| SpectraBase Spectrum ID |
3rojjg5egQ2 |
| Name |
3.alpha.-Hydroxy-Gammaceran-21-one |
| Alternate Name(s) |
(5alpha,8beta,9alpha,10beta,13beta,14alpha,17beta,18alpha,21beta)-21-hydroxygammaceran-3-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H50O2 |
| InChI |
InChI=1S/C30H50O2/c1-25(2)19-11-17-29(7)21(27(19,5)15-13-23(25)31)9-10-22-28(6)16-14-24(32)26(3,4)20(28)12-18-30(22,29)8/h19-23,31H,9-18H2,1-8H3/t19-,20-,21+,22+,23+,27-,28-,29+,30+/m0/s1 |
| InChIKey |
UMMRDVVEAFNJSP-JDUAUEDGSA-N |
| Molecular Weight |
442.728 g/mol |
| SMILES |
O[C@]1(C([C@@]2(CC[C@]3([C@]4([C@]([C@]5(CCC(C([C@@]5(CC4)[H])(C)C)=O)C)([H])CC[C@@]3([C@]2(CC1)C)[H])C)C)[H])(C)C)[H] |
| SPLASH |
splash10-052r-0890400000-e362ea62c1dcba161f6d |
| Source of Spectrum |
X2-57-765-3 |
| Wiley ID |
1605427 |
