(Q105350200)

English

[(2S,3S,3aR,5S,7R,7aS)-3-hydroxy-4',7,7a-trimethyl-2'-oxospiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-furan]-5-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(3-hydroxy-4',7,7a-trimethyl-2'-oxospiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-furan]-5-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

348.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₅

0 references

canonical SMILES

O=C(OC1CC(C)C2(C)CC3(C(=O)OC=C3C)C(O)C2C1)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@H]1C[C@@H](C)[C@]2(C)C[C@@]3(C(=O)OC=C3C)[C@@H](O)[C@@H]2C1

0 references

found in taxon

Petasites hybridus

1 reference

stated in

New Eremophilane Sesquiterpenes from a Rhizome Extract ofPetasites hybridus

Identifiers

InChI

InChI=1S/C20H28O5/c1-6-11(2)17(22)25-14-7-12(3)19(5)10-20(16(21)15(19)8-14)13(4)9-24-18(20)23/h6,9,12,14-16,21H,7-8,10H2,1-5H3/b11-6-/t12-,14+,15+,16+,19+,20+/m1/s1

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InChIKey

YLNJKQHHINJBFC-ADVVAQQHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YLNJKQHHINJBFC-ADVVAQQHSA-N

(Q105350200)

[(2S,3S,3aR,5S,7R,7aS)-3-hydroxy-4',7,7a-trimethyl-2'-oxospiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-furan]-5-yl] (Z)-2-methylbut-2-enoate

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Identifiers

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