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(3bR,6S,9aR)-3b,6,9a-trimethyl-6-methylol-5,5a,9,9b,10,11-hexahydro-4H-isochromeno[5,6-g]isobenzofuran-8-one
SpectraBase Compound ID 8yU8pAzwHUv
InChI InChI=1S/C19H26O4/c1-17-7-6-15-18(2,8-16(21)23-19(15,3)11-20)14(17)5-4-12-9-22-10-13(12)17/h9-10,14-15,20H,4-8,11H2,1-3H3/t14?,15?,17-,18+,19+/m0/s1
InChIKey PWERRLSSZRCTDA-IOPJTDPYSA-N
Mol Weight 318.41 g/mol
Molecular Formula C19H26O4
Exact Mass 318.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CiGZaym19vk
Name (3bR,6S,9aR)-3b,6,9a-trimethyl-6-methylol-5,5a,9,9b,10,11-hexahydro-4H-isochromeno[5,6-g]isobenzofuran-8-one
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H26O4
InChI InChI=1S/C19H26O4/c1-17-7-6-15-18(2,8-16(21)23-19(15,3)11-20)14(17)5-4-12-9-22-10-13(12)17/h9-10,14-15,20H,4-8,11H2,1-3H3/t14?,15?,17-,18+,19+/m0/s1
InChIKey PWERRLSSZRCTDA-IOPJTDPYSA-N
Literature Reference Author C.J.LI,F.J.SCHMITZ,M.KELLY-BORGES
Literature Reference Citation J.NAT.PROD.,61,546(1998)
Literature Reference DOI 10.1021/np9705219
Molecular Weight 318.413 g/mol
Solvent CDCl3
Source File Reference UWKP170