| SpectraBase Spectrum ID |
J6VcYC3OcLj |
| Name |
A-Norestrane-5-acetic acid, 17-hydroxy-3-methyl-, methyl ester, (3.alpha.,5.beta.,17.beta.)- |
| CAS Registry Number |
80188-52-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H34O3 |
| InChI |
InChI=1S/C21H34O3/c1-13-5-4-6-17-15-9-11-20(2)16(7-8-18(20)22)14(15)10-12-21(13,17)19(23)24-3/h13-18,22H,4-12H2,1-3H3/t13?,14-,15+,16+,17-,18+,20+,21?/m1/s1 |
| InChIKey |
DFEFMFUARXSGTJ-UUHFZDKGSA-N |
| Molecular Weight |
334.500 g/mol |
| SMILES |
O[C@@]1([C@@]2([C@]([C@@]3(CCC4([C@@]([C@]3(CC2)[H])(CCCC4C)[H])C(=O)OC)[H])(CC1)[H])C)[H] |
| SPLASH |
splash10-03di-0091000000-3a33f280ac7d96eb849e |
| Source of Spectrum |
I-59-1649-0 |
| Synonyms |
5-Methoxycarbonyl-17.beta.-hydroxy-4-methylestrane
Dicyclopenta[a,f]naphthalene, a-norestrane-5-acetic acid deriv.
methyl (17beta)-17-hydroxy-4-methylestrane-5-carboxylate |
| Wiley ID |
1331316 |
