(Q105344545)

English

2-[(2R,4S,4aS,8S)-4a,8-dimethyl-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]prop-2-enoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

2-[4a,8-dimethyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]prop-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

412.209717984 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₂O₈

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canonical SMILES

O=C(O)C(=C)C1C=C2C(C)CCCC2(C)C(OC3OC(CO)C(O)C(O)C3O)C1

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isomeric SMILES

C=C(C(=O)O)[C@H]1C=C2[C@@H](C)CCC[C@]2(C)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C1

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found in taxon

Laggera pterodonta

1 reference

stated in

Eleven New Eudesmane Derivatives fromLaggerapterodonta

Laggera crispata

1 reference

stated in

Eleven New Eudesmane Derivatives fromLaggerapterodonta

Identifiers

InChI

InChI=1S/C21H32O8/c1-10-5-4-6-21(3)13(10)7-12(11(2)19(26)27)8-15(21)29-20-18(25)17(24)16(23)14(9-22)28-20/h7,10,12,14-18,20,22-25H,2,4-6,8-9H2,1,3H3,(H,26,27)/t10-,12-,14+,15-,16-,17-,18+,20-,21-/m0/s1

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InChIKey

XYLGTYVCSSAKTM-CVGVROSOSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105344545)

2-[(2R,4S,4aS,8S)-4a,8-dimethyl-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]prop-2-enoic acid

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