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6.beta.,18-Di[(R)-methoxyphenyl acetate]cassan-13,15-diene
SpectraBase Compound ID 3kvd7Y2FmdX
InChI InChI=1S/C38H48O6/c1-7-28-13-18-32-31(25(28)2)23-33(44-35(40)22-27-11-16-30(42-6)17-12-27)36-37(3,19-8-20-38(32,36)4)24-43-34(39)21-26-9-14-29(41-5)15-10-26/h7,9-12,14-17,31-33,36H,1,8,13,18-24H2,2-6H3/t31-,32-,33+,36-,37-,38+/m0/s1
InChIKey BXMKFYAMSIQJLG-JEUGTPBFSA-N
Mol Weight 600.8 g/mol
Molecular Formula C38H48O6
Exact Mass 600.345089 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9v2798sfgd2
Name 6.beta.,18-Di[(R)-methoxyphenyl acetate]cassan-13,15-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H48O6
InChI InChI=1S/C38H48O6/c1-7-28-13-18-32-31(25(28)2)23-33(44-35(40)22-27-11-16-30(42-6)17-12-27)36-37(3,19-8-20-38(32,36)4)24-43-34(39)21-26-9-14-29(41-5)15-10-26/h7,9-12,14-17,31-33,36H,1,8,13,18-24H2,2-6H3/t31-,32-,33+,36-,37-,38+/m0/s1
InChIKey BXMKFYAMSIQJLG-JEUGTPBFSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1021/np049890c
Molecular Weight 600.796 g/mol
Optical Rotation [a]D24 = -87.8 (c = 1.03, CHCl3)
SMILES C1C[C@]2([C@]([C@@](C1)(COC(=O)Cc1ccc(cc1)OC)C)([C@@](C[C@@]1([C@@]2(CCC(=C1C)C=C)[H])[H])(OC(Cc1ccc(cc1)OC)=O)[H])[H])C
SPLASH splash10-00di-1940000000-4ae45c0eb0d8a172ca2c
Source of Spectrum G4-67-1715-1715-1
Wiley ID 1881558