(Q105349148)

English

(E)-4-[(1R,2R,13R,15S)-6,8-dihydroxy-5-[(2R)-2-hydroxy-3-methylbut-3-enyl]-17,17-dimethyl-7-(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-15-yl]-2-methylbut-2-enal

chemical compound

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instance of

type of chemical entity

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subclass of

4-[6,8-Dihydroxy-5-(2-hydroxy-3-methylbut-3-enyl)-17,17-dimethyl-7-(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-15-yl]-2-methylbut-2-enal

1 reference

based on heuristic

inferred from SMILES

mass

562.256668176 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₃₈O₈

0 references

canonical SMILES

O=CC(=CCC12OC(C)(C)C3CC(C=C4C(=O)C=5C(O)=C(C(O)=C(C5OC431)CC(O)C(=C)C)CC=C(C)C)C2=O)C

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isomeric SMILES

C=C(C)[C@H](O)Cc1c(O)c(CC=C(C)C)c(O)c2c1O[C@@]13C(=C[C@H]4C[C@@H]1C(C)(C)O[C@]3(C/C=C(\C)C=O)C4=O)C2=O

0 references

found in taxon

Garcinia gaudichaudii

2 references

stated in

Cytotoxic caged tetraprenylated xanthonoids from Garcinia gaudichaudii (Guttiferae)

stated in

Novel cytotoxic polyprenylated xanthonoids from Garcinia gaudichaudii (Guttiferae)

Identifiers

InChI

InChI=1S/C33H38O8/c1-16(2)8-9-20-26(36)21(14-23(35)17(3)4)29-25(27(20)37)28(38)22-12-19-13-24-31(6,7)41-32(30(19)39,33(22,24)40-29)11-10-18(5)15-34/h8,10,12,15,19,23-24,35-37H,3,9,11,13-14H2,1-2,4-7H3/b18-10+/t19-,23+,24+,32+,33-/m0/s1

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InChIKey

YJAOBKYEAUHQLQ-VWVIGZQTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YJAOBKYEAUHQLQ-VWVIGZQTSA-N

(Q105349148)

(E)-4-[(1R,2R,13R,15S)-6,8-dihydroxy-5-[(2R)-2-hydroxy-3-methylbut-3-enyl]-17,17-dimethyl-7-(3-methylbut-2-enyl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraen-15-yl]-2-methylbut-2-enal

Statements

Identifiers

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