(Q105242182)

English

2-methyl-3-[(2E,7R,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,10,14,18,22,26,30-heptaenyl]naphthalene-1,4-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-methyl-3-(3,7,11,15,19,23,27,31-octamethyldotriaconta-2,10,14,18,22,26,30-heptaen-1-yl)naphthalene-1,4-dione

1 reference

based on heuristic

inferred from SMILES

mass

718.568881608 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₁H₇₄O₂

0 references

canonical SMILES

O=C1C=2C=CC=CC2C(=O)C(=C1C)CC=C(C)CCCC(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C

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isomeric SMILES

CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC[C@H](C)CCC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O

0 references

found in taxon

Corynebacterium diphtheriae

1 reference

stated in

Isolation of a naphthaquinone with partly hydrogenated side chain from Corynebacterium diphtheriae

Identifiers

InChI

InChI=1S/C51H74O2/c1-38(2)20-13-21-39(3)22-14-23-40(4)24-15-25-41(5)26-16-27-42(6)28-17-29-43(7)30-18-31-44(8)32-19-33-45(9)36-37-47-46(10)50(52)48-34-11-12-35-49(48)51(47)53/h11-12,20,22,24,26,28,30,34-36,44H,13-19,21,23,25,27,29,31-33,37H2,1-10H3/b39-22+,40-24+,41-26+,42-28+,43-30+,45-36+/t44-/m0/s1

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InChIKey

ROENOAFLUDRPDJ-CSYYIMBASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ROENOAFLUDRPDJ-CSYYIMBASA-N

(Q105242182)

2-methyl-3-[(2E,7R,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,10,14,18,22,26,30-heptaenyl]naphthalene-1,4-dione

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Identifiers

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