| SpectraBase Spectrum ID |
AcqQtqREDLn |
| Name |
A mixture of 9-O-(4-t-butoxycarbonyl butanoyl)retronecine and 7-O-isomer |
| CAS Registry Number |
63128-41-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H27NO5 |
| InChI |
InChI=1S/C17H27NO5/c1-17(2,3)23-15(21)6-4-5-14(20)22-13-8-10-18-9-7-12(11-19)16(13)18/h7,13,16,19H,4-6,8-11H2,1-3H3/t13-,16-/m1/s1 |
| InChIKey |
JNXKQVPIVOARCY-CZUORRHYSA-N |
| Molecular Weight |
325.405 g/mol |
| SMILES |
OCC=1[C@@]2([C@](OC(=O)CCCC(OC(C)(C)C)=O)(CCN2CC1)[H])[H] |
| SPLASH |
splash10-00ku-6900000000-0d00bf5f48c6a5b19cdf |
| Source of Spectrum |
KC-1977-542-0 |
| Synonyms |
Pentanedioic acid, 1,1-dimethylethyl 2,3,5,7a-tetrahydro-7-(hydroxymethyl)-1H-pyrrolizin-1-yl ester, (1R-trans)-
1-[(1R,7aR)-7-(hydroxymethyl)-2,3,5,7a-tetrahydro-1H-pyrrolo[1,2-a]pyrrol-1-yl]5-tert-butyl pentanedioate
Mixture of 7-O-(4-t-butoxycarbonylbutanoyl)retronecine and 9-O-isomer
Retronecine 1-(tert-butyl glutarate) |
| Wiley ID |
1323941 |
