(Q105151540)

English

[(1S,2R,3S,5R,6S)-5-[(3R,5R)-3,6-dihydroxy-6-methyl-5-[(Z)-2-methylbut-2-enoyl]oxyhept-1-en-2-yl]-2,3,6-trihydroxy-2-methylcyclohexyl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[5-[3,6-Dihydroxy-6-methyl-5-(2-methylbut-2-enoyloxy)hept-1-en-2-yl]-2,3,6-trihydroxy-2-methylcyclohexyl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

484.26723286 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₄₀O₉

0 references

canonical SMILES

O=C(OC(CC(O)C(=C)C1CC(O)C(O)(C)C(OC(=O)C(=CC)C)C1O)C(O)(C)C)C(=CC)C

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isomeric SMILES

C=C([C@H](O)C[C@@H](OC(=O)/C(C)=C\C)C(C)(C)O)[C@H]1C[C@H](O)[C@@](C)(O)[C@@H](OC(=O)/C(C)=C\C)[C@H]1O

0 references

found in taxon

Ligularia cymbulifera

1 reference

stated in

Pyrrolizidine Alkaloids and Bisabolane Sesquiterpenes from the Roots ofLigularia cymbulifera

Identifiers

InChI

InChI=1S/C25H40O9/c1-9-13(3)22(29)33-19(24(6,7)31)12-17(26)15(5)16-11-18(27)25(8,32)21(20(16)28)34-23(30)14(4)10-2/h9-10,16-21,26-28,31-32H,5,11-12H2,1-4,6-8H3/b13-9-,14-10-/t16-,17-,18+,19-,20+,21+,25-/m1/s1

0 references

InChIKey

LGRBNEWZMTYTSW-FLEZKLDCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LGRBNEWZMTYTSW-FLEZKLDCSA-N

(Q105151540)

[(1S,2R,3S,5R,6S)-5-[(3R,5R)-3,6-dihydroxy-6-methyl-5-[(Z)-2-methylbut-2-enoyl]oxyhept-1-en-2-yl]-2,3,6-trihydroxy-2-methylcyclohexyl] (Z)-2-methylbut-2-enoate

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Identifiers

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