(Q105158022)

English

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

1 reference

based on heuristic

inferred from SMILES

mass

318.21949482 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

16alpha-Hydroxycleroda-3,13-dien-15,16-olide

1 reference

based on heuristic

inferred from InChI

(5r)-5-hydroxy-4-{2-[(2r,4ar,8ar)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]ethyl}furan-2(5h)-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₃

0 references

canonical SMILES

O=C1OC(O)C(=C1)CCC2(C)C(C)CCC3(C(=CCCC32)C)C

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isomeric SMILES

CC1=CCC[C@@H]2[C@@](C)(CCC3=CC(=O)O[C@H]3O)[C@H](C)CC[C@@]12C

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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/C20H30O3/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/h6,12,14,16,18,22H,5,7-11H2,1-4H3/t14-,16+,18-,19+,20+/m1/s1

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InChIKey

LVSCWEDTMWAASP-FVUMXFQUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LVSCWEDTMWAASP-FVUMXFQUSA-N

1 reference

(Q105158022)

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

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Identifiers

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