(Q105006112)

English

2-Butenoic acid, 2-methyl-, (4aR,5R,6S,8aS,9aS)-2,4,4a,5,6,7,8,8a,9,9a-decahydro-8a-hydroxy-3,4a,5-trimethyl-2-oxonaphtho(2,3-b)furan-6-yl ester, (2Z)-

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

eremophilane sesquiterpenoid

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mass

348.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₅

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canonical SMILES

O=C(OC1CCC2(O)CC3OC(=O)C(=C3CC2(C)C1C)C)C(=CC)C

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isomeric SMILES

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

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found in taxon

Hertia cheirifolia

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stated in

Eremophilenolides from Hertia cheirifolia

stated in

Eremophilenolides from Hertia cheirifolia

Identifiers

InChI

InChI=1S/C20H28O5/c1-6-11(2)17(21)24-15-7-8-20(23)10-16-14(12(3)18(22)25-16)9-19(20,5)13(15)4/h6,13,15-16,23H,7-10H2,1-5H3/b11-6-/t13-,15-,16-,19+,20-/m0/s1

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InChIKey

GBVVDELGMZHWNL-ACTUQHRRSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GBVVDELGMZHWNL-ACTUQHRRSA-N

1 reference

(Q105006112)

2-Butenoic acid, 2-methyl-, (4aR,5R,6S,8aS,9aS)-2,4,4a,5,6,7,8,8a,9,9a-decahydro-8a-hydroxy-3,4a,5-trimethyl-2-oxonaphtho(2,3-b)furan-6-yl ester, (2Z)-

Statements

Identifiers

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