(Q105387101)

English

[(11R,12S,13R,14R)-14-hydroxy-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-yl] benzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(14-Hydroxy-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-yl) benzoate

1 reference

based on heuristic

inferred from SMILES

mass

520.173332476 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₉H₂₈O₉

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canonical SMILES

O=C(OC1C2=CC=3OCOC3C(OC)=C2C=4C(OC)=C5OCOC5=CC4C(O)C(C)C1C)C=6C=CC=CC6

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isomeric SMILES

COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)[C@H](O)[C@H](C)[C@H](C)[C@H]3OC(=O)c1ccccc1)OCO2

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found in taxon

Kadsura ananosma

1 reference

stated in

Compounds from Kadsura ananosma

Kadsura coccinea

1 reference

stated in

Compounds from Kadsura ananosma

Kadsura angustifolia

1 reference

stated in

Compounds from Kadsura ananosma

Identifiers

InChI

InChI=1S/C29H28O9/c1-14-15(2)24(38-29(31)16-8-6-5-7-9-16)18-11-20-26(37-13-35-20)28(33-4)22(18)21-17(23(14)30)10-19-25(27(21)32-3)36-12-34-19/h5-11,14-15,23-24,30H,12-13H2,1-4H3/t14-,15+,23-,24-/m1/s1

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InChIKey

ZZUXCDZKNBWESL-QIUMVMEPSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105387101)

[(11R,12S,13R,14R)-14-hydroxy-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-yl] benzoate

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