(Q104963019)

English

[(3aR,4R,6aR,7R,9aR,9bR)-7-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-acetyloxy-2-(hydroxymethyl)but-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(7-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl) 4-acetyloxy-2-(hydroxymethyl)but-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

418.162767792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₆O₈

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canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)C(=CCOC(=O)C)CO)CC(=C)C3C(O)C=C(C)C23

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isomeric SMILES

C=C1C[C@@H](OC(=O)/C(=C/COC(C)=O)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(C)=C[C@@H](O)[C@@H]12

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found in taxon

Helogyne apaloidea

1 reference

stated in

Helogynic acid, a homoditerpene, and other constituents from Helogyne apaloidea

Identifiers

InChI

InChI=1S/C22H26O8/c1-10-7-15(25)17-11(2)8-16(19-12(3)21(26)30-20(19)18(10)17)29-22(27)14(9-23)5-6-28-13(4)24/h5,7,15-20,23,25H,2-3,6,8-9H2,1,4H3/b14-5+/t15-,16-,17-,18+,19-,20-/m1/s1

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InChIKey

CKYDUFMLFGHULX-UDTPUXAFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CKYDUFMLFGHULX-UDTPUXAFSA-N

(Q104963019)

[(3aR,4R,6aR,7R,9aR,9bR)-7-hydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-acetyloxy-2-(hydroxymethyl)but-2-enoate

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