(Q105332063)

English

[(1S,2R,3R,4S,6S)-4-[(3R,5R)-3,6-dihydroxy-6-methyl-5-[(Z)-2-methylbut-2-enoyl]oxyhept-1-en-2-yl]-3-hydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[4-[3,6-Dihydroxy-6-methyl-5-(2-methylbut-2-enoyloxy)hept-1-en-2-yl]-3-hydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

466.256668176 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₈O₈

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canonical SMILES

O=C(OC(CC(O)C(=C)C1CC2OC2(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]1C[C@@H]2O[C@]2(C)[C@H](OC(=O)/C(C)=C\C)[C@@H]1O)[C@H](O)C[C@@H](OC(=O)/C(C)=C\C)C(C)(C)O

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found in taxon

Ligularia cymbulifera

1 reference

stated in

Pyrrolizidine Alkaloids and Bisabolane Sesquiterpenes from the Roots ofLigularia cymbulifera

Identifiers

InChI

InChI=1S/C25H38O8/c1-9-13(3)22(28)31-18(24(6,7)30)12-17(26)15(5)16-11-19-25(8,33-19)21(20(16)27)32-23(29)14(4)10-2/h9-10,16-21,26-27,30H,5,11-12H2,1-4,6-8H3/b13-9-,14-10-/t16-,17+,18+,19-,20+,21+,25-/m0/s1

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InChIKey

XNXMMOGHWCPTQZ-LFBNHLITSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XNXMMOGHWCPTQZ-LFBNHLITSA-N

(Q105332063)

[(1S,2R,3R,4S,6S)-4-[(3R,5R)-3,6-dihydroxy-6-methyl-5-[(Z)-2-methylbut-2-enoyl]oxyhept-1-en-2-yl]-3-hydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl] (Z)-2-methylbut-2-enoate

Statements

Identifiers

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