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2-Hydroxy-3-[16-(2-hydroxy-3,6-diketo-5-methoxy-cyclohexa-1,4-dien-1-yl)hexadecyl]-5-methoxy-p-benzoquinone
SpectraBase Compound ID BXy3KuW8yki
InChI InChI=1S/C30H42O8/c1-37-25-19-23(31)27(33)21(29(25)35)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-22-28(34)24(32)20-26(38-2)30(22)36/h19-20,33-34H,3-18H2,1-2H3
InChIKey TYXLIRQFLYPDSR-UHFFFAOYSA-N
Mol Weight 530.7 g/mol
Molecular Formula C30H42O8
Exact Mass 530.287968 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1fAuF9xPGr
Name 2-Hydroxy-3-[16-(2-hydroxy-3,6-diketo-5-methoxy-cyclohexa-1,4-dien-1-yl)hexadecyl]-5-methoxy-p-benzoquinone
Alternate Name(s) 2-Hydroxy-3-[16-(2-hydroxy-5-methoxy-3,6-dioxo-1-cyclohexa-1,4-dienyl)hexadecyl]-5-methoxycyclohexa-2,5-diene-1,4-dione 2-Hydroxy-3-[16-(2-hydroxy-5-methoxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl)hexadecyl]-5-methoxy-1,4-benzoquinone 2-Hydroxy-3-[16-(2-hydroxy-5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)hexadecyl]-5-methoxycyclohexa-2,5-diene-1,4-dione 5-Methoxy-3-[16-[5-methoxy-2-oxidanyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]hexadecyl]-2-oxidanyl-cyclohexa-2,5-diene-1,4-dione
CAS Registry Number 21551-67-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H42O8
InChI InChI=1S/C30H42O8/c1-37-25-19-23(31)27(33)21(29(25)35)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-22-28(34)24(32)20-26(38-2)30(22)36/h19-20,33-34H,3-18H2,1-2H3
InChIKey TYXLIRQFLYPDSR-UHFFFAOYSA-N
Molecular Weight 530.658 g/mol
SMILES OC1=C(CCCCCCCCCCCCCCCCC2=C(C(C=C(C2=O)OC)=O)O)C(C(=CC1=O)OC)=O
SPLASH splash10-0gc0-0900050000-0528e848151e4d065211
Source of Spectrum W5-1989-57999-7537
Wiley ID 1403347