(Q105172948)

English

(2R,11R,16R,17R)-17-methyl-17-(4-methylpent-3-enyl)-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),5(10),6,8,13,19-hexaene-7,16,20-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

17-Methyl-17-(4-methylpent-3-enyl)-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),5(10),6,8,13,19-hexaene-7,16,20-triol

1 reference

based on heuristic

inferred from SMILES

mass

424.188588616 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,11R,16S,17S)-17-methyl-17-(4-methylpent-3-enyl)-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),5(10),6,8,13,19-hexaene-7,16,20-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₂₈O₆

0 references

canonical SMILES

OC1=CC=C2C(OCC3C4=CC(O)=C5OC(C)(CCC=C(C)C)C(O)CC5=C4OC23)=C1

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isomeric SMILES

CC(C)=CCC[C@@]1(C)Oc2c(O)cc3c(c2C[C@H]1O)O[C@H]1c2ccc(O)cc2OC[C@@H]31

0 references

found in taxon

Lespedeza homoloba

2 references

stated in

Antioxidants from Lespedeza homoloba (II).

stated in

Antioxidants from Lespedeza homoloba (II).

Identifiers

InChI

InChI=1S/C25H28O6/c1-13(2)5-4-8-25(3)21(28)11-17-23-16(10-19(27)24(17)31-25)18-12-29-20-9-14(26)6-7-15(20)22(18)30-23/h5-7,9-10,18,21-22,26-28H,4,8,11-12H2,1-3H3/t18-,21+,22-,25+/m0/s1

0 references

InChIKey

MVDMPADXXDHNOL-RJIVXFJJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MVDMPADXXDHNOL-RJIVXFJJSA-N

(Q105172948)

(2R,11R,16R,17R)-17-methyl-17-(4-methylpent-3-enyl)-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),5(10),6,8,13,19-hexaene-7,16,20-triol

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