(Q105299758)

English

methyl (3S,4aS,6Z,8E,12aR)-3-[(2R)-2-hydroxy-5-oxo-2H-furan-4-yl]-4a-methyl-10-methylidene-1-oxo-3,4,5,11,12,12a-hexahydrocyclodeca[c]pyran-9-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

methyl 3-(2-hydroxy-5-oxo-2H-furan-4-yl)-4a-methyl-10-methylidene-1-oxo-3,4,5,11,12,12a-hexahydrocyclodeca[c]pyran-9-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

388.152203108 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₄O₇

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canonical SMILES

O=C(OC)C1=CC=CCC2(C)CC(OC(=O)C2CCC1=C)C3=CC(O)OC3=O

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isomeric SMILES

C=C1CC[C@H]2C(=O)O[C@H](C3=C[C@H](O)OC3=O)C[C@]2(C)C/C=C\C=C/1C(=O)OC

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found in taxon

Nidorella elliotii

1 reference

stated in

Clerodanes, seco-clerodanes, geranyl geraniol derivatives and unusual sesquiterpenes from Conyza hypoleuca

Identifiers

InChI

InChI=1S/C21H24O7/c1-12-7-8-15-20(25)27-16(14-10-17(22)28-19(14)24)11-21(15,2)9-5-4-6-13(12)18(23)26-3/h4-6,10,15-17,22H,1,7-9,11H2,2-3H3/b5-4-,13-6+/t15-,16-,17+,21-/m0/s1

0 references

InChIKey

VZGFEBHDHZUNKQ-FFFPTIRWSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105299758)

methyl (3S,4aS,6Z,8E,12aR)-3-[(2R)-2-hydroxy-5-oxo-2H-furan-4-yl]-4a-methyl-10-methylidene-1-oxo-3,4,5,11,12,12a-hexahydrocyclodeca[c]pyran-9-carboxylate

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Identifiers

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