(Q105152200)

English

[(2R,3S,4S,5R,6R)-6-[[(1R,4aS,5R,8aS)-1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[6-[[1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

522.282882924 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R,3S,4S,5R,6S)-6-[[(1R,4aS,5R,8aS)-1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₄₂O₉

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canonical SMILES

O=C1OCC=C1CCC2C(=C)CCC3C(C)(COC4OC(COC(=O)C)C(O)C(O)C4O)CCCC23C

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isomeric SMILES

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

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found in taxon

Potamogeton natans

1 reference

stated in

Lactone diterpenes from the aquatic plant Potamogeton natans.

Identifiers

InChI

InChI=1S/C28H42O9/c1-16-6-9-21-27(3,11-5-12-28(21,4)19(16)8-7-18-10-13-34-25(18)33)15-36-26-24(32)23(31)22(30)20(37-26)14-35-17(2)29/h10,19-24,26,30-32H,1,5-9,11-15H2,2-4H3/t19-,20-,21-,22-,23+,24-,26-,27+,28+/m1/s1

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InChIKey

LIIMOJLTWWSQGN-HDWGBIQKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LIIMOJLTWWSQGN-HDWGBIQKSA-N

(Q105152200)

[(2R,3S,4S,5R,6R)-6-[[(1R,4aS,5R,8aS)-1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate

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