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(1S,3R)-Palmarumycin BG2

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

(1S,3R)-Palmarumycin BG2
SpectraBase Compound ID F2OLB987DMk
InChI InChI=1S/C20H16O5/c21-13-7-3-6-12-19(13)14(22)10-17(23)20(12)24-15-8-1-4-11-5-2-9-16(25-20)18(11)15/h1-9,14,17,21-23H,10H2/t14-,17+/m0/s1
InChIKey AIPGFNUXBCTPNS-WMLDXEAASA-N
Mol Weight 336.34 g/mol
Molecular Formula C20H16O5
Exact Mass 336.099774 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CmV1GbmRyCb
Name (1S,3R)-Palmarumycin BG2
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.099773610 u
Formula C20H16O5
InChI InChI=1S/C20H16O5/c21-13-7-3-6-12-19(13)14(22)10-17(23)20(12)24-15-8-1-4-11-5-2-9-16(25-20)18(11)15/h1-9,14,17,21-23H,10H2/t14-,17+/m0/s1
InChIKey AIPGFNUXBCTPNS-WMLDXEAASA-N
Molecular Weight 336.343 g/mol
SMILES C12(OC=3C4=C(C=CC=C4C=CC3)O1)[C@@](C[C@](O)(C=1C(=CC=CC21)O)[H])(O)[H]