| SpectraBase Spectrum ID |
I9OCx3GxvdU |
| Name |
5.ALPHA.-ANDROSTANE-3.BETA.,16.BETA.,18-TRIOL-6-ONE-TRI-ACETATE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
448.246103492 u |
| Formula |
C25H36O7 |
| InChI |
InChI=1S/C25H36O7/c1-14(26)30-13-25-8-6-20-19(21(25)10-18(12-25)32-16(3)28)11-23(29)22-9-17(31-15(2)27)5-7-24(20,22)4/h17-22H,5-13H2,1-4H3/t17-,18-,19+,20-,21-,22+,24+,25+/m0/s1 |
| InChIKey |
RTJSSOYRNHBHDO-WXIVYAGKSA-N |
| Molecular Weight |
448.556 g/mol |
| Nominal Mass |
448 u |
| Number of Peaks |
103 |
| SMILES |
[C@]1(CC[C@@]2([C@]3(CC[C@@]4(C[C@](C[C@]4([C@@]3(CC([C@]2(C1)[H])=O)[H])[H])(OC(C)=O)[H])COC(C)=O)[H])C)(OC(C)=O)[H] |
| SPLASH |
splash10-016r-8898000000-a1de56c2448740d5a8c1 |
| Source File Reference |
LMCM-38552-646R |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
16,18-BIS(ACETYLOXY)-6-OXOANDROSTAN-3-YL ACETATE
(3S,5S,8R,9S,10R,13S,14S,16S)-13-(acetoxymethyl)-10-methyl-6-oxohexadecahydro-1H-cyclopenta[a]phenanthrene-3,16-diyl diacetate |
| Wiley ID |
4_1676 |
