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14,20-Cycloveatchane-2,5,6,11,12-pentol, 4,21-dimethyl-16-methylene-, 11,12-diacetate, (2.alpha.,6.alpha.,11.alpha.,12.alpha.)-

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14,20-Cycloveatchane-2,5,6,11,12-pentol, 4,21-dimethyl-16-methylene-, 11,12-diacetate, (2.alpha.,6.alpha.,11.alpha.,12.alpha.)-
SpectraBase Compound ID 60PrsuX2a1R
InChI InChI=1S/C25H35NO7/c1-11-6-23-9-15(30)25(31)22(4)7-14(29)8-24(25)20(23)19(33-13(3)28)18(32-12(2)27)16(11)17(23)21(24)26(5)10-22/h14-21,29-31H,1,6-10H2,2-5H3/t14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25-/m0/s1
InChIKey HOFQQPFLSDAWGC-QMPGGFARSA-N
Mol Weight 461.6 g/mol
Molecular Formula C25H35NO7
Exact Mass 461.241352 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KySZBelzeLO
Name 14,20-Cycloveatchane-2,5,6,11,12-pentol, 4,21-dimethyl-16-methylene-, 11,12-diacetate, (2.alpha.,6.alpha.,11.alpha.,12.alpha.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 461.241352464 u
Formula C25H35NO7
InChI InChI=1S/C25H35NO7/c1-11-6-23-9-15(30)25(31)22(4)7-14(29)8-24(25)20(23)19(33-13(3)28)18(32-12(2)27)16(11)17(23)21(24)26(5)10-22/h14-21,29-31H,1,6-10H2,2-5H3/t14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25-/m0/s1
InChIKey HOFQQPFLSDAWGC-QMPGGFARSA-N
Molecular Weight 461.555 g/mol
SMILES [C@]123[C@]4([C@](C)(C[C@@](C3)(O)[H])CN([C@@]1([C@]1([C@]3(C(=C)C[C@@]1([C@]2([C@@]([C@@]3(OC(=O)C)[H])(OC(=O)C)[H])[H])C[C@@]4(O)[H])[H])[H])[H])C)O