(Q105330692)

English

4-[(E)-2-[(1R,3S,4aS,8aS)-3-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-2H-furan-5-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

labdanes

0 references

mass

316.203844756 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

4-[2-[(1R,3S,4aS,8aS)-3-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-2H-furan-5-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₃

0 references

canonical SMILES

O=C1OCC=C1C=CC2C(=C)C(O)CC3C(C)(C)CCCC23C

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isomeric SMILES

C=C1[C@@H](O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1/C=C/C1=CCOC1=O

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found in taxon

Hedychium gardnerianum

1 reference

stated in

Labdane-type diterpenes from Hedychium gardnerianum with potent cytotoxicity against human small cell lung cancer cells

Hedychium longipetalum

1 reference

stated in

Cytotoxic labdane-type diterpenes from Hedychium longipetalum inhibiting production of nitric oxide

Hedychium champasakense

1 reference

stated in

Cytotoxic labdane-type diterpenes from Hedychium longipetalum inhibiting production of nitric oxide

Identifiers

InChI

InChI=1S/C20H28O3/c1-13-15(7-6-14-8-11-23-18(14)22)20(4)10-5-9-19(2,3)17(20)12-16(13)21/h6-8,15-17,21H,1,5,9-12H2,2-4H3/b7-6+/t15-,16-,17-,20+/m0/s1

0 references

InChIKey

XMFHYLXGTZLYKM-XHNMEYTFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XMFHYLXGTZLYKM-XHNMEYTFSA-N

1 reference

(Q105330692)

4-[(E)-2-[(1R,3S,4aS,8aS)-3-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]-2H-furan-5-one

Statements

Identifiers

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