(Q105314208)

English

(10R)-10-[(9S)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4,5-dihydroxy-7-methyl-10-oxo-9H-anthracen-9-yl]-1,8-dihydroxy-3-methyl-6-(3-methylbut-2-enoxy)-10H-anthracen-9-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

10-[2-(3,7-dimethylocta-2,6-dienoxy)-4,5-dihydroxy-7-methyl-10-oxo-9H-anthracen-9-yl]-1,8-dihydroxy-3-methyl-6-(3-methylbut-2-enoxy)-10H-anthracen-9-one

1 reference

based on heuristic

inferred from SMILES

mass

714.319268432 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₅H₄₆O₈

0 references

canonical SMILES

O=C1C2=C(O)C=C(OCC=C(C)C)C=C2C(C3=CC(=CC(O)=C13)C)C4C5=CC(OCC=C(C)CCC=C(C)C)=CC(O)=C5C(=O)C6=C(O)C=C(C=C64)C

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isomeric SMILES

CC(C)=CCC/C(C)=C/COc1cc(O)c2c(c1)[C@@H]([C@@H]1c3cc(C)cc(O)c3C(=O)c3c(O)cc(OCC=C(C)C)cc31)c1cc(C)cc(O)c1C2=O

0 references

found in taxon

Psorospermum tenuifolium

1 reference

stated in

New metabolites from Psorospermum tenuifolium☆

Identifiers

InChI

InChI=1S/C45H46O8/c1-23(2)9-8-10-25(5)12-14-53-29-20-33-39(31-16-27(7)18-35(47)41(31)45(51)43(33)37(49)22-29)38-30-15-26(6)17-34(46)40(30)44(50)42-32(38)19-28(21-36(42)48)52-13-11-24(3)4/h9,11-12,15-22,38-39,46-49H,8,10,13-14H2,1-7H3/b25-12+/t38-,39+/m1/s1

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InChIKey

WWPWBEAJXVPETE-SITHKRCMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WWPWBEAJXVPETE-SITHKRCMSA-N

(Q105314208)

(10R)-10-[(9S)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4,5-dihydroxy-7-methyl-10-oxo-9H-anthracen-9-yl]-1,8-dihydroxy-3-methyl-6-(3-methylbut-2-enoxy)-10H-anthracen-9-one

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Identifiers

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