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6.beta.-(Vanilloyloxy)-germacra-1(10),4-diene
SpectraBase Compound ID MEVWTpD3g4
InChI InChI=1S/C23H32O4/c1-15(2)22-17(4)13-16(3)9-7-6-8-10-20(22)27-23(25)18-11-12-19(24)21(14-18)26-5/h8-12,14-15,17,20,22,24H,6-7,13H2,1-5H3/b10-8+,16-9+/t17-,20-,22+/m0/s1
InChIKey OXXSSLBSTLKOHN-RXJHHTGKSA-N
Mol Weight 372.5 g/mol
Molecular Formula C23H32O4
Exact Mass 372.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4isszIaVUVw
Name 6.beta.-(Vanilloyloxy)-germacra-1(10),4-diene
Alternate Name(s) (1S,9S,10R)-10-isopropyl-7,9-dimethyl-2,6-cyclodecadien-1-yl 4-hydroxy-3-methoxybenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O4
InChI InChI=1S/C23H32O4/c1-15(2)22-17(4)13-16(3)9-7-6-8-10-20(22)27-23(25)18-11-12-19(24)21(14-18)26-5/h8-12,14-15,17,20,22,24H,6-7,13H2,1-5H3/b10-8+,16-9+/t17-,20-,22+/m0/s1
InChIKey OXXSSLBSTLKOHN-RXJHHTGKSA-N
Molecular Weight 372.505 g/mol
SMILES Oc1ccc(C(O[C@@]2([C@@]([C@](C\C(C)=C\CC\C=C\2)(C)[H])(C(C)C)[H])[H])=O)cc1OC
SPLASH splash10-1000-0900000000-2d35d03b5b155a89cfb2
Source of Spectrum X2-50-833-6
Wiley ID 1602435