| SpectraBase Spectrum ID |
LLaab11A4OO |
| Name |
2.xi.,17.beta.-diacetoxy-5,5-ethylenedioxy-4,5-secoandrostan-3-one |
| CAS Registry Number |
98759-64-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H38O7 |
| InChI |
InChI=1S/C25H38O7/c1-15(26)21(31-16(2)27)14-24(5)20-9-10-23(4)19(6-7-22(23)32-17(3)28)18(20)8-11-25(24)29-12-13-30-25/h18-22H,6-14H2,1-5H3/t18-,19-,20-,21?,22-,23-,24+/m0/s1 |
| InChIKey |
LYRWXBCMVRFDPF-BDMPEISKSA-N |
| Molecular Weight |
450.572 g/mol |
| SMILES |
[C@@]1([C@@]2([C@@]([C@@]3(CC[C@@]([C@]3(CC2)C)(OC(=O)C)[H])[H])([H])CCC11OCCO1)[H])(CC(OC(=O)C)C(=O)C)C |
| SPLASH |
splash10-0002-9000000000-e955d5ef62e3af01a80c |
| Source of Spectrum |
KC-1985-1203-12 |
| Synonyms |
1-[(1'S,2'S,5'S,6'S,9'S,10'R)-5'-(acetyloxy)-6',10'-dimethylspiro[1,3-dioxolane-2,11'-tricyclo[7.4.0.0(2,6)]tridecane]-10'-yl]-3-oxobutan-2-yl acetate |
| Wiley ID |
1387714 |
