(Q27295134)

English

ninandrographolide

chemical compound

In more languages

Statements

type of chemical entity

0 references

0 references

496.267 dalton

1 reference

language of work or name

andropanoside (English)

14 October 2016

stereoisomer of

4-[2-[(1R,4aR,5R,6R,8aS)-6-hydroxy-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,6R,8aS)-6-hydroxy-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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

4-[2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5,8a-dimethyl-2-methylidene-5-[[(2R,3S,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

C₂₆H₄₀O₉

1 reference

language of work or name

andropanoside (English)

14 October 2016

canonical SMILES

CC12CCC(C(C1CCC(=C)C2CCC3=CCOC3=O)(C)COC4C(C(C(C(O4)CO)O)O)O)O

1 reference

language of work or name

andropanoside (English)

14 October 2016

isomeric SMILES

C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2CCC3=CCOC3=O)(C)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O

1 reference

language of work or name

andropanoside (English)

14 October 2016

Andrographis paniculata

7 references

ent-Labdane Diterpenoids from Andrographis paniculata^

ent-Labdane diterpenoids from Andrographis paniculata

On the diterpenoids of Andrographis paniculata: X-ray crystallographic analysis of andrographolide and structure determination of new minor diterpenoids.

ChemInform Abstract: Chemical Constituents Isolated from Andrographis paniculata

Andropanolide and isoandrographolide, minor diterpenoids from Andrographis paniculata: structure and X-ray crystallographic analysis

ent-Labdane diterpenoids from Andrographis paniculata

An in vitro study of anti-inflammatory activity of standardised Andrographis paniculata extracts and pure andrographolide

Identifiers

InChI=1S/C26H40O9/c1-14-4-7-18-25(2,16(14)6-5-15-9-11-33-23(15)32)10-8-19(28)26(18,3)13-34-24-22(31)21(30)20(29)17(12-27)35-24/h9,16-22,24,27-31H,1,4-8,10-13H2,2-3H3/t16-,17-,18+,19-,20-,21+,22-,24-,25+,26+/m1/s1

1 reference

language of work or name

andropanoside (English)

14 October 2016

MEEPUSVTMHGIPC-MVGASCEISA-N

1 reference

language of work or name

andropanoside (English)

14 October 2016

CAS Registry Number

1 reference

Global Substance Registration System

language of work or name

ninandrographolide (English)

14 October 2016

1 reference

language of work or name

{(1R,2R,4aS,5R,8aS)-2-Hydroxy-1,4a-dimethyl-6-methylene-5-[2-(2-oxo-2,5-dihydro-3-furanyl)ethyl]decahydro-1-naphthalenyl}methyl beta-D-glucopyranoside (English)

14 October 2016

2 references

language of work or name

andropanoside (English)

14 October 2016

matched by identifier from

MEEPUSVTMHGIPC-MVGASCEISA-N

1 reference

language of work or name

ANDROPANOSIDE (English)

14 October 2016

UniChem compound ID

1 reference

DSSTox substance ID

DTXSID701002559

0 references

DSSTOX compound identifier

DTXCID301429494

0 references

2 references

Global Substance Registration System

language of work or name

ninandrographolide (English)

14 October 2016

matched by identifier from

MEEPUSVTMHGIPC-MVGASCEISA-N

Probes And Drugs ID

0 references

Sitelinks

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