(Q105029151)

English

(3aR,4S,6Z,10E,11aR)-10-methyl-3-methylidene-4-(2-methylprop-2-enoyloxy)-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

10-Methyl-3-methylidene-4-(2-methylprop-2-enoyloxy)-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

346.141638424 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₂O₆

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canonical SMILES

O=C(O)C1=CCCC(=CC2OC(=O)C(=C)C2C(OC(=O)C(=C)C)C1)C

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isomeric SMILES

C=C(C)C(=O)O[C@H]1C/C(C(=O)O)=C/CC/C(C)=C/[C@H]2OC(=O)C(=C)[C@H]12

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found in taxon

Gochnatia hypoleuca

1 reference

stated in

Dimeric guaianolides and other constituents from Gochnatia species

Nahuatlea hypoleuca

1 reference

stated in

Dimeric guaianolides and other constituents from Gochnatia species

Identifiers

InChI

InChI=1S/C19H22O6/c1-10(2)18(22)24-15-9-13(17(20)21)7-5-6-11(3)8-14-16(15)12(4)19(23)25-14/h7-8,14-16H,1,4-6,9H2,2-3H3,(H,20,21)/b11-8+,13-7-/t14-,15+,16+/m1/s1

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InChIKey

HJCSMVDPZFFOOT-CKYRGKDNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HJCSMVDPZFFOOT-CKYRGKDNSA-N

(Q105029151)

(3aR,4S,6Z,10E,11aR)-10-methyl-3-methylidene-4-(2-methylprop-2-enoyloxy)-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylic acid

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