(Q105307400)

English

4-[2-[(1R,4aR,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

19-Hydroxy-8(17),13-labdadien-16,15-olide

1 reference

based on heuristic

inferred from SMILES

mass

318.21949482 dalton

1 reference

1 reference

19-Hydroxylabda-8(17),13-dien-16,15-olid

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based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₃

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canonical SMILES

O=C1OCC=C1CCC2C(=C)CCC3C(C)(CO)CCCC23C

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isomeric SMILES

C=C1CC[C@@H]2[C@@](C)(CCC[C@@]2(C)CO)[C@@H]1CCC1=CCOC1=O

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found in taxon

Andrographis paniculata

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stated in

Nine Newent-Labdane Diterpenoids from the Aerial Parts ofAndrographis paniculata

Potamogeton natans

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stated in

Lactone diterpenes from the aquatic plant Potamogeton natans.

Identifiers

InChI

InChI=1S/C20H30O3/c1-14-5-8-17-19(2,13-21)10-4-11-20(17,3)16(14)7-6-15-9-12-23-18(15)22/h9,16-17,21H,1,4-8,10-13H2,2-3H3/t16-,17+,19+,20+/m1/s1

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InChIKey

WKKBRRFSRMDTJB-UMGGQSCQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WKKBRRFSRMDTJB-UMGGQSCQSA-N

1 reference

(Q105307400)

4-[2-[(1R,4aR,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one

Statements

Identifiers

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