(Q105348018)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

480.27231824 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

1 reference

inferred from InChIKey

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₄₀O₈

0 references

canonical SMILES

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

0 references

isomeric SMILES

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

0 references

found in taxon

Andrographis paniculata

5 references

stated in

The structure and stereochemistry of neoandrographolide, a diterpene glucoside from Andrographis paniculata nees

stated in

ent-Labdane diterpenoids from Andrographis paniculata

stated in

ent-Labdane diterpenoid lactone stereoisomers from Andrographis paniculata

stated in

Extraction of three bioactive diterpenoids from Andrographis paniculata: effect of the extraction techniques on extract composition and quantification of three andrographolides using high-performance liquid chromatography

stated in

Cell differentiation-inducing diterpenes from Andrographis paniculata Nees

Identifiers

InChI

InChI=1S/C26H40O8/c1-15-5-8-19-25(2,14-33-24-22(30)21(29)20(28)18(13-27)34-24)10-4-11-26(19,3)17(15)7-6-16-9-12-32-23(16)31/h9,17-22,24,27-30H,1,4-8,10-14H2,2-3H3/t17-,18-,19-,20-,21+,22-,24+,25+,26+/m1/s1

0 references

InChIKey

YGCYRQKJYWQXHG-XHORUFSCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YGCYRQKJYWQXHG-XHORUFSCSA-N

1 reference

(Q105348018)

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

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