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Ferruginin A

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Ferruginin A
SpectraBase Compound ID 8xPWiqNS0Aa
InChI InChI=1S/C30H36O4/c1-17(2)8-9-22-20(7)14-21-15-23-27(29(34)26(21)28(22)33)24(31)16-25(32)30(23,12-10-18(3)4)13-11-19(5)6/h8,10-11,14-16,32-34H,9,12-13H2,1-7H3
InChIKey MONLTQLSGPIJEC-UHFFFAOYSA-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 BznjqIQjaSj
Name 1(4H)-Anthracenone, 3,8,9-trihydroxy-6-methyl-4,4,7-tris(3-methyl-2-butenyl)-
Alternate Name(s) 3,8,9-trihydroxy-6-methyl-4,4,7-tris(3-methyl-2-butenyl)-1(4H)-anthracenone Ferruginin A
CAS Registry Number 73210-81-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H36O4
InChI InChI=1S/C30H36O4/c1-17(2)8-9-22-20(7)14-21-15-23-27(29(34)26(21)28(22)33)24(31)16-25(32)30(23,12-10-18(3)4)13-11-19(5)6/h8,10-11,14-16,32-34H,9,12-13H2,1-7H3
InChIKey MONLTQLSGPIJEC-UHFFFAOYSA-N
Molecular Weight 460.614 g/mol
SMILES OC=1C(c2c(c(c3c(c(c(cc3c2)C)CC=C(C)C)O)O)C(C1)=O)(CC=C(C)C)CC=C(C)C
SPLASH splash10-0006-0029100000-3d94e81e4b85c767bb93
Source of Spectrum F-35-2147-0
Wiley ID 1390644