For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

ISOCRYPTOPORIC-ACID-I;3-CARBOXY-2-(6-HYDROXY-2,5,5,8A-TETRAMETHYL-1,4,4A,5,6,7,8,8A-OCTAHYDRO-NAPHTHALEN-1-YLMETHOXY)-PENTANEDIOIC-ACID

View entire compound with spectra: 1 NMR

ISOCRYPTOPORIC-ACID-I;3-CARBOXY-2-(6-HYDROXY-2,5,5,8A-TETRAMETHYL-1,4,4A,5,6,7,8,8A-OCTAHYDRO-NAPHTHALEN-1-YLMETHOXY)-PENTANEDIOIC-ACID
SpectraBase Compound ID 6pW8BmvqxxY
InChI InChI=1S/C21H32O8/c1-11-5-6-14-20(2,3)15(22)7-8-21(14,4)13(11)10-29-17(19(27)28)12(18(25)26)9-16(23)24/h5,12-15,17,22H,6-10H2,1-4H3,(H,23,24)(H,25,26)(H,27,28)/t12-,13+,14+,15+,17+,21-/m1/s1
InChIKey RIUQIOHIZIJIQO-XPEYHSBYSA-N
Mol Weight 412.5 g/mol
Molecular Formula C21H32O8
Exact Mass 412.209718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8EyKdJKIMZs
Name ISOCRYPTOPORIC-ACID-I;3-CARBOXY-2-(6-HYDROXY-2,5,5,8A-TETRAMETHYL-1,4,4A,5,6,7,8,8A-OCTAHYDRO-NAPHTHALEN-1-YLMETHOXY)-PENTANEDIOIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H32O8
InChI InChI=1S/C21H32O8/c1-11-5-6-14-20(2,3)15(22)7-8-21(14,4)13(11)10-29-17(19(27)28)12(18(25)26)9-16(23)24/h5,12-15,17,22H,6-10H2,1-4H3,(H,23,24)(H,25,26)(H,27,28)/t12-,13+,14+,15+,17+,21-/m1/s1
InChIKey RIUQIOHIZIJIQO-XPEYHSBYSA-N
Literature Reference Author G.M.CABRERA,M.J.ROBERTI,J.E.WRIGHT,A.M.SELDES
Literature Reference Citation PHYTOCHEM.,61,189(2002)
Literature Reference DOI 10.1016/S0031-9422(02)00221-2
Molecular Weight 412.480 g/mol
Solvent CD3OD
Source File Reference UWLU29335