| SpectraBase Spectrum ID |
B1u6OdSToft |
| Name |
Methyl-3,9,20-trioxo-C-nor-9,11-seco-5.alpha.,17.alpha.-pregnan-11-oate |
| Alternate Name(s) |
Methyl (5R)-2-[(4aS)-8a-methyl-1,6-dioxodecahydro-2-naphthalenyl]-5-acetyl-1-methylcyclopentanecarboxylate |
| CAS Registry Number |
110611-35-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H30O5 |
| InChI |
InChI=1S/C21H30O5/c1-12(22)16-7-8-17(21(16,3)19(25)26-4)15-6-5-13-11-14(23)9-10-20(13,2)18(15)24/h13,15-17H,5-11H2,1-4H3/t13-,15?,16-,17?,20?,21?/m0/s1 |
| InChIKey |
HYFDEICZXZAJMB-VIPBBUNLSA-N |
| Molecular Weight |
362.466 g/mol |
| SMILES |
C1(C(C2C(C3(CCC(C[C@@]3(CC2)[H])=O)C)=O)CC[C@]1(C(=O)C)[H])(C(=O)OC)C |
| SPLASH |
splash10-052f-9041000000-b13e1c10d8e233651026 |
| Source of Spectrum |
KC-1986-2293-9 |
| Wiley ID |
1349745 |
