(Q105022499)

English

(3E)-4-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]but-3-en-2-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

4-(5,5,8a-trimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl)but-3-en-2-one

1 reference

based on heuristic

inferred from SMILES

mass

260.214015516 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

4-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]but-3-en-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(E)-4-[(1S,4aR,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]but-3-en-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3E)-4-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]but-3-en-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₈H₂₈O

0 references

canonical SMILES

O=C(C=CC1C(=C)CCC2C(C)(C)CCCC12C)C

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isomeric SMILES

C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C(C)=O

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found in taxon

Curcuma heyneana

1 reference

stated in

Sesquiterpenes from the rhizomes of Curcuma heyneana

Alpinia formosana

1 reference

stated in

Diterpenes from the rhizomes of Alpinia formosana

Alpinia zerumbet

2 references

stated in

Labdane and bisnorlabdane type diterpenes from Alpinia speciosa K. Schum.

stated in

Labdane diterpenes from Alpinia zerumbet

Curcuma mangga

1 reference

stated in

Phytochemical and cytotoxic investigations of Curcuma mangga rhizomes.

Identifiers

InChI

InChI=1S/C18H28O/c1-13-7-10-16-17(3,4)11-6-12-18(16,5)15(13)9-8-14(2)19/h8-9,15-16H,1,6-7,10-12H2,2-5H3/b9-8+/t15-,16-,18+/m0/s1

0 references

InChIKey

GWLGWWOKIBLQJF-YGUYEABBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GWLGWWOKIBLQJF-YGUYEABBSA-N

1 reference

(Q105022499)

(3E)-4-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]but-3-en-2-one

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