| SpectraBase Spectrum ID |
3ubjBL4ITY |
| Name |
ANDROST-5-ENE-3.BETA.,16.ALPHA.,17.BETA.-TRIOL(3.BETA.,16.ALPHA.,17.BETA.-TRI-ACETATE) |
| CAS Registry Number |
94703-18-1 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
432.251188873 u |
| Formula |
C25H36O6 |
| InChI |
InChI=1S/C25H36O6/c1-14(26)29-18-8-10-24(4)17(12-18)6-7-19-20(24)9-11-25(5)21(19)13-22(30-15(2)27)23(25)31-16(3)28/h6,18-23H,7-13H2,1-5H3/t18-,19+,20-,21-,22+,23-,24-,25-/m0/s1 |
| InChIKey |
DGPZKDQQKGWWSJ-DWKSCWABSA-N |
| Molecular Weight |
432.557 g/mol |
| Nominal Mass |
432 u |
| Number of Peaks |
68 |
| SMILES |
[C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@]([C@@](C[C@]4([C@@]3(CC=C2C1)[H])[H])(OC(C)=O)[H])(OC(C)=O)[H])C)[H])C)(OC(C)=O)[H] |
| SPLASH |
splash10-0fe1-0892000000-973876c0d63ccac5c4c2 |
| Source File Reference |
LMCM-65805-286V |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
16,17-BIS(ACETYLOXY)ANDROST-5-EN-3-YL ACETATE
(3S,8R,9S,10R,13S,14S,16R,17R)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,16,17-triyl triacetate |
| Wiley ID |
4_700 |
