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(2S)-3',4'-Dihydro-7-hydroxy-2',2'-dimethyl-8,8'-bis(3-methylbut-2-enyl)-[2,6'-bi-2H-1-benzopyran]-4(3H)-one
SpectraBase Compound ID CIlbGwi772H
InChI InChI=1S/C30H36O4/c1-18(2)7-9-20-15-22(16-21-13-14-30(5,6)34-28(20)21)27-17-26(32)24-11-12-25(31)23(29(24)33-27)10-8-19(3)4/h7-8,11-12,15-16,27,31H,9-10,13-14,17H2,1-6H3/t27-/m0/s1
InChIKey MRPHVGHSSGBDCB-MHZLTWQESA-N
Mol Weight 460.6 g/mol
Molecular Formula C30H36O4
Exact Mass 460.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ghg83ol6x4Z
Name (2S)-3',4'-Dihydro-7-hydroxy-2',2'-dimethyl-8,8'-bis(3-methylbut-2-enyl)-[2,6'-bi-2H-1-benzopyran]-4(3H)-one
Alternate Name(s) Tonkinochromane B (S)-7-hydroxy-2',2'-dimethyl-8,8'-bis(3-methylbut-2-en-1-yl)-[2,6'-bichroman]-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H36O4
InChI InChI=1S/C30H36O4/c1-18(2)7-9-20-15-22(16-21-13-14-30(5,6)34-28(20)21)27-17-26(32)24-11-12-25(31)23(29(24)33-27)10-8-19(3)4/h7-8,11-12,15-16,27,31H,9-10,13-14,17H2,1-6H3/t27-/m0/s1
InChIKey MRPHVGHSSGBDCB-MHZLTWQESA-N
Literature Reference DOI 10.1002/hlca.200690000
Molecular Weight 460.614 g/mol
SMILES Oc1c(c2O[C@](c3cc(c4c(CCC(O4)(C)C)c3)CC=C(C)C)(CC(c2cc1)=O)[H])CC=C(C)C
SPLASH splash10-0006-9810000000-bcdc77786c65b51a6454
Source of Spectrum H-89-109-2
Wiley ID 1785629