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CUPACINOXEPIN;(5A-R,8A-R,9A-R,10A-S,13B-R,14B-R,17B-S,18B-S)-4,4,8A,10A,14B,18B,22,22-OCTAMETHYLPERHYDRONAPHTHOL
SpectraBase Compound ID EhLPahzVxIK
InChI InChI=1S/C30H50O3/c1-25(2)15-9-16-27(5)20(25)12-18-29(7)22(27)10-11-23-28(6)17-14-24(31)32-26(3,4)21(28)13-19-30(23,8)33-29/h20-23H,9-19H2,1-8H3/t20-,21-,22+,23+,27-,28-,29+,30+/m0/s1
InChIKey ATMVDEGAHBCKJL-KYSSMBTOSA-N
Mol Weight 458.7 g/mol
Molecular Formula C30H50O3
Exact Mass 458.375995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6QaFqEu4smQ
Name CUPACINOXEPIN;(5A-R,8A-R,9A-R,10A-S,13B-R,14B-R,17B-S,18B-S)-4,4,8A,10A,14B,18B,22,22-OCTAMETHYLPERHYDRONAPHTHOL
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H50O3
InChI InChI=1S/C30H50O3/c1-25(2)15-9-16-27(5)20(25)12-18-29(7)22(27)10-11-23-28(6)17-14-24(31)32-26(3,4)21(28)13-19-30(23,8)33-29/h20-23H,9-19H2,1-8H3/t20-,21-,22+,23+,27-,28-,29+,30+/m0/s1
InChIKey ATMVDEGAHBCKJL-KYSSMBTOSA-N
Literature Reference Author M.S.GACHET,O.KUNERT,M.KAISER,R.BRUN,M.ZEHL,W.KELLER,R.A.MUNO Z,R.BAUER,W.SCHUEHLY
Literature Reference Citation J.NAT.PROD.,74,559(2011)
Literature Reference DOI 10.1021/np100415m
Molecular Weight 458.725 g/mol
Sample ID 37368
Solvent CDCl3