(Q105155291)

English

(1R,2S,3S,7S,9R,12R,13R,14R,15S,16R,17S)-3,12,13,14,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-4,11-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3,12,13,14,15,16-Hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-4,11-dione

1 reference

based on heuristic

inferred from SMILES

mass

412.173332476 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₉

0 references

canonical SMILES

O=C1OC2CC3C(=CC(=O)C(O)C3(C)C4C(O)C(O)C(O)(C)C(O)(C1O)C24C)C

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isomeric SMILES

CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@]3(O)[C@@]1(C)[C@@H]2[C@@H](O)[C@H](O)[C@@]3(C)O

0 references

found in taxon

Brucea javanica

2 references

stated in

New quassinoids, javanicolides C and D and javanicosides B--F, from seeds of Brucea javanica

stated in

Bioactive constituents of the seeds of Brucea javanica

Identifiers

InChI

InChI=1S/C20H28O9/c1-7-5-9(21)13(23)17(2)8(7)6-10-18(3)12(17)11(22)14(24)19(4,27)20(18,28)15(25)16(26)29-10/h5,8,10-15,22-25,27-28H,6H2,1-4H3/t8-,10+,11+,12+,13+,14-,15-,17-,18+,19+,20-/m0/s1

0 references

InChIKey

LPOJQTWOQFLBSI-JVDXBALSSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105155291)

(1R,2S,3S,7S,9R,12R,13R,14R,15S,16R,17S)-3,12,13,14,15,16-hexahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-4,11-dione

Statements

Identifiers

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