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

View entire compound with spectra: 1 NMR

14,20-Cycloveatchane-2,5,6,11,12-pentol, 4,21-dimethyl-16-methylene-, 6,11,12-triacetate, (2.alpha.,6.alpha.,11.alpha.,12.alpha.)-
SpectraBase Compound ID IJMTCpIj1S7
InChI InChI=1S/C27H37NO8/c1-12-7-25-10-17(34-13(2)29)27(33)24(5)8-16(32)9-26(27)22(25)21(36-15(4)31)20(35-14(3)30)18(12)19(25)23(26)28(6)11-24/h16-23,32-33H,1,7-11H2,2-6H3/t16-,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27-/m0/s1
InChIKey CJYKDYLXIADSOL-CVMUNDQRSA-N
Mol Weight 503.6 g/mol
Molecular Formula C27H37NO8
Exact Mass 503.251917 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8nTmti4QRnA
Name 14,20-Cycloveatchane-2,5,6,11,12-pentol, 4,21-dimethyl-16-methylene-, 6,11,12-triacetate, (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 503.251917147 u
Formula C27H37NO8
InChI InChI=1S/C27H37NO8/c1-12-7-25-10-17(34-13(2)29)27(33)24(5)8-16(32)9-26(27)22(25)21(36-15(4)31)20(35-14(3)30)18(12)19(25)23(26)28(6)11-24/h16-23,32-33H,1,7-11H2,2-6H3/t16-,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27-/m0/s1
InChIKey CJYKDYLXIADSOL-CVMUNDQRSA-N
Molecular Weight 503.592 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(OC(=O)C)[H])[H])[H])[H])C)O