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(5S,10Z,11Ar)-5-(acetyloxy)-6,10-bis(hydroxymethyl)-3-methylidene-2-oxo-2,3,3A,4,5,8,9,11A-octahydrocyclodeca[B]furan-4-yl 2-methylbutanoate, 2ac derivative

View entire compound with spectra: 1 NMR

(5S,10Z,11Ar)-5-(acetyloxy)-6,10-bis(hydroxymethyl)-3-methylidene-2-oxo-2,3,3A,4,5,8,9,11A-octahydrocyclodeca[B]furan-4-yl 2-methylbutanoate, 2ac derivative
SpectraBase Compound ID CCyMcmHJAP7
InChI InChI=1S/C26H34O10/c1-7-14(2)25(30)36-24-22-15(3)26(31)35-21(22)11-19(12-32-16(4)27)9-8-10-20(13-33-17(5)28)23(24)34-18(6)29/h10-11,14,21-24H,3,7-9,12-13H2,1-2,4-6H3/b19-11-,20-10+/t14?,21-,22?,23+,24?/m1/s1
InChIKey AHNSPLFJKXBGMA-GVOLXFLRSA-N
Mol Weight 506.5 g/mol
Molecular Formula C26H34O10
Exact Mass 506.215197 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7qQfVewEstM
Name (5S,10Z,11Ar)-5-(acetyloxy)-6,10-bis(hydroxymethyl)-3-methylidene-2-oxo-2,3,3A,4,5,8,9,11A-octahydrocyclodeca[B]furan-4-yl 2-methylbutanoate, 2ac derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 506.215197285 u
Formula C26H34O10
InChI InChI=1S/C26H34O10/c1-7-14(2)25(30)36-24-22-15(3)26(31)35-21(22)11-19(12-32-16(4)27)9-8-10-20(13-33-17(5)28)23(24)34-18(6)29/h10-11,14,21-24H,3,7-9,12-13H2,1-2,4-6H3/b19-11-,20-10+/t14?,21-,22?,23+,24?/m1/s1
InChIKey AHNSPLFJKXBGMA-GVOLXFLRSA-N
Molecular Weight 506.548 g/mol
SMILES C(C(CC)C)(=O)OC1[C@](\C(=C\CC\C(=C\[C@]2(OC(=O)C(C12)=C)[H])COC(=O)C)COC(=O)C)(OC(=O)C)[H]