(Q105225092)

English

(E)-4-[(1R,2R,8S,16R,18S)-11-hydroxy-8-(2-hydroxypropan-2-yl)-20,20-dimethyl-5-(3-methylbut-2-enyl)-13,17-dioxo-3,7,19-trioxahexacyclo[14.4.1.02,14.02,18.04,12.06,10]henicosa-4(12),5,10,14-tetraen-18-yl]-2-methylbut-2-enal

chemical compound

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type of chemical entity

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1 reference

4-[11-Hydroxy-8-(2-hydroxypropan-2-yl)-20,20-dimethyl-5-(3-methylbut-2-enyl)-13,17-dioxo-3,7,19-trioxahexacyclo[14.4.1.02,14.02,18.04,12.06,10]henicosa-4(12),5,10,14-tetraen-18-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

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canonical SMILES

O=CC(=CCC12OC(C)(C)C3CC(C=C4C(=O)C=5C(O)=C6C(OC(C6)C(O)(C)C)=C(C5OC431)CC=C(C)C)C2=O)C

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isomeric SMILES

CC(C)=CCc1c2c(c(O)c3c1O[C@@]14C(=C[C@H]5C[C@@H]1C(C)(C)O[C@]4(C/C=C(\C)C=O)C5=O)C3=O)C[C@@H](C(C)(C)O)O2

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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)8-9-19-27-20(14-23(39-27)30(4,5)38)25(35)24-26(36)21-12-18-13-22-31(6,7)41-32(29(18)37,11-10-17(3)15-34)33(21,22)40-28(19)24/h8,10,12,15,18,22-23,35,38H,9,11,13-14H2,1-7H3/b17-10+/t18-,22+,23-,32+,33-/m0/s1

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InChIKey

QOSIIPFIQGNGLK-RRQNITBASA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105225092)

(E)-4-[(1R,2R,8S,16R,18S)-11-hydroxy-8-(2-hydroxypropan-2-yl)-20,20-dimethyl-5-(3-methylbut-2-enyl)-13,17-dioxo-3,7,19-trioxahexacyclo[14.4.1.02,14.02,18.04,12.06,10]henicosa-4(12),5,10,14-tetraen-18-yl]-2-methylbut-2-enal

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Identifiers

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