| SpectraBase Spectrum ID |
E6dfMLmWlrA |
| Name |
3-.beta.-Hydroxy-17.beta.-propionyloxy-3,6-cyclo-4-nor-3,5-seco-6-.beta.-androstan-5-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32O4 |
| InChI |
InChI=1S/C21H32O4/c1-4-18(23)25-17-6-5-14-12-11-13-16(22)8-10-21(3,19(13)24)15(12)7-9-20(14,17)2/h12-17,22H,4-11H2,1-3H3/t12?,13-,14?,15+,16+,17+,20+,21-/m1/s1 |
| InChIKey |
KTJHAZIZZPCGNA-WPVLWHSLSA-N |
| Molecular Weight |
348.483 g/mol |
| SMILES |
O[C@]1(CC[C@]2(C([C@]1([H])CC1[C@@]2(CC[C@@]2([C@@](OC(=O)CC)(CCC12)[H])C)[H])=O)C)[H] |
| SPLASH |
splash10-0002-0019000000-191c36c0caaf7ac73a75 |
| Source of Spectrum |
KC-1991-129-3 |
| Synonyms |
(1R,2S,5S,6S,12R,13S)-13-hydroxy-1,5-dimethyl-16-oxotetracyclo[10.3.1.0(2,10).0(5,9)]hexadec-6-yl propionate |
| Wiley ID |
1340860 |
