(Q105202444)

English

(2R)-3-[(E)-2-[(1R,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethenyl]-2-hydroxy-2H-furan-5-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-[2-(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)ethenyl]-2-hydroxy-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

316.203844756 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S)-3-[(E)-2-[(1R,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethenyl]-2-hydroxy-2H-furan-5-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₃

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canonical SMILES

O=C1OC(O)C(C=CC2(C)C(C)CCC3(C(=CCCC23)C)C)=C1

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isomeric SMILES

CC1=CCC[C@H]2[C@@]1(C)CC[C@@H](C)[C@]2(C)/C=C/C1=CC(=O)O[C@H]1O

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found in taxon

Callicarpa americana

1 reference

stated in

Cytotoxic constituents from the fruiting branches of Callicarpa americana collected in southern Florida

Identifiers

InChI

InChI=1S/C20H28O3/c1-13-6-5-7-16-19(13,3)10-8-14(2)20(16,4)11-9-15-12-17(21)23-18(15)22/h6,9,11-12,14,16,18,22H,5,7-8,10H2,1-4H3/b11-9+/t14-,16+,18-,19+,20+/m1/s1

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InChIKey

OXAFASQBBRNFES-DWRHCWNZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OXAFASQBBRNFES-DWRHCWNZSA-N

1 reference

(Q105202444)

(2R)-3-[(E)-2-[(1R,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethenyl]-2-hydroxy-2H-furan-5-one

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Identifiers

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