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Cephakicine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Cephakicine
SpectraBase Compound ID Al6IcuPWP1
InChI InChI=1S/C23H29NO7/c1-12(25)30-17-11-23-8-9-24(3)15(19(23)22(29-5)21(17)31-13(2)26)10-14-6-7-16(28-4)20(27)18(14)23/h6-7,15,17,21,27H,8-11H2,1-5H3/t15-,17-,21-,23-/m0/s1
InChIKey ZYHWPODSLMIRCA-PAAHSZEMSA-N
Mol Weight 431.49 g/mol
Molecular Formula C23H29NO7
Exact Mass 431.194402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JpLkyQBs4SZ
Name Cephakicine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H29NO7
InChI InChI=1S/C23H29NO7/c1-12(25)30-17-11-23-8-9-24(3)15(19(23)22(29-5)21(17)31-13(2)26)10-14-6-7-16(28-4)20(27)18(14)23/h6-7,15,17,21,27H,8-11H2,1-5H3/t15-,17-,21-,23-/m0/s1
InChIKey ZYHWPODSLMIRCA-PAAHSZEMSA-N
Molecular Weight 431.485 g/mol
SMILES Oc1c2[C@]34C(=C([C@]([C@@](OC(=O)C)(C4)[H])(OC(=O)C)[H])OC)[C@@](N(CC3)C)(Cc2ccc1OC)[H]
SPLASH splash10-00di-0029100000-794d5ecfc6bd879caf86
Source of Spectrum G4-59-478-4
Synonyms (6beta,7beta,9alpha,13alpha)-6-(acetyloxy)-4-hydroxy-3,8-dimethoxy-17-methyl-8,14-didehydromorphinan-7-yl acetate
Wiley ID 1606294