| SpectraBase Spectrum ID |
FZ9kxMadDfm |
| Name |
ACETIC ACID 10-(CYANO-HYDROXY-METHYL)-13-METHYL-3-OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-YL ESTER |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
371.209658414 u |
| Formula |
C22H29NO4 |
| InChI |
InChI=1S/C22H29NO4/c1-13(24)27-20-6-5-17-16-4-3-14-11-15(25)7-10-22(14,19(26)12-23)18(16)8-9-21(17,20)2/h11,16-20,26H,3-10H2,1-2H3 |
| InChIKey |
AUXCYPZTEBCGTI-UHFFFAOYSA-N |
| Molecular Weight |
371.477 g/mol |
| Nominal Mass |
371 u |
| Number of Peaks |
292 |
| SMILES |
OC(C12CCC(C=C1CCC1C2CCC2(C)C1CCC2OC(=O)C)=O)C#N |
| SPLASH |
splash10-052f-8962000000-6f31f3b79f0745dbc7ac |
| Source File Reference |
LMCM-37105-686B |
| Source of Spectrum |
Prof. J. Seibl; ETH Zurich, Switzerland |
| Synonyms |
2-[cyano(hydroxy)methyl]-15-methyl-5-oxotetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-6-en-14-yl acetate |
| Wiley ID |
8_13308 |
![Acetic acid, 10-(cyanohydroxymethyl)-13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene](/api/spectrum/FZ9kxMadDfm/structure.png?h=300&w=458 "Acetic acid, 10-(cyanohydroxymethyl)-13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene")
