| SpectraBase Spectrum ID |
7xekZ2KRrDN |
| Name |
5.ALPHA.-ANDROSTANE-1.BETA.,3.ALPHA.,6.ALPHA.-TRIOL-17-ONE(1.BETA.,3.ALPHA.,6.ALPHA.-TRI-ACETATE) |
| CAS Registry Number |
38788-50-0 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
448.246103492 u |
| Formula |
C25H36O7 |
| InChI |
InChI=1S/C25H36O7/c1-13(26)30-16-10-20-21(31-14(2)27)12-17-18-6-7-22(29)24(18,4)9-8-19(17)25(20,5)23(11-16)32-15(3)28/h16-21,23H,6-12H2,1-5H3/t16-,17-,18-,19-,20+,21-,23+,24-,25+/m0/s1 |
| InChIKey |
UASNWAABUHHNQP-BHXLWEINSA-N |
| Molecular Weight |
448.556 g/mol |
| Nominal Mass |
448 u |
| Number of Peaks |
145 |
| SMILES |
[C@@]1(C[C@]([C@@]2([C@]3(CC[C@@]4(C(CC[C@]4([C@@]3(C[C@@]([C@]2(C1)[H])(OC(C)=O)[H])[H])[H])=O)C)[H])C)(OC(C)=O)[H])(OC(C)=O)[H] |
| SPLASH |
splash10-00xr-2596000000-b6490fb3d75d0b919524 |
| Source File Reference |
LMCM-77540-566E |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
1,3-BIS(ACETYLOXY)-17-OXOANDROSTAN-6-YL ACETATE
(1R,3S,5S,6S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxohexadecahydro-1H-cyclopenta[a]phenanthrene-1,3,6-triyl triacetate |
| Wiley ID |
4_2271 |
