(Q104939269)

English

(3Z,4S)-3-{2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]ethylidene}-4-hydroxyoxolan-2-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3-[(Z)-2-[(1R,4abeta)-2-Methylene-5alpha-(hydroxymethyl)-5,8aalpha-dimethyl-6alpha-hydroxydecalin-1alpha-yl]ethylidene]-4-hydroxytetrahydrofuran-2-one

1 reference

1 reference

350.20932406 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3Z,4S)-3-[2-[(1R,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

14-Epiandrographolide, >=95% (LC/MS-ELSD)

2 references

based on heuristic

inferred from InChIKey

1 reference

1 reference

C₂₀H₃₀O₅

0 references

canonical SMILES

O=C1OCC(O)C1=CCC2C(=C)CCC3C(C)(CO)C(O)CCC23C

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isomeric SMILES

C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1\C(=O)OC[C@H]1O

0 references

found in taxon

Andrographis paniculata

6 references

stated in

ent-Labdane diterpenoid lactone stereoisomers from Andrographis paniculata

stated in

Cell differentiation-inducing diterpenes from Andrographis paniculata Nees

stated in

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

stated in

ent-Labdane diterpenoids from Andrographis paniculata

stated in

A new diterpene from the leaves of Andrographis paniculata Nees

stated in

Andropanolide and Isoandrographolide, Minor Diterpenoids from Andrographis paniculata: Structure and X-ray Crystallographic Analysis

Identifiers

InChI

InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5-/t14-,15-,16+,17-,19+,20+/m1/s1

0 references

InChIKey

BOJKULTULYSRAS-QPSYGYIJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BOJKULTULYSRAS-QPSYGYIJSA-N

1 reference

0 references

(Q104939269)

(3Z,4S)-3-{2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-hexahydro-1H-naphthalen-1-yl]ethylidene}-4-hydroxyoxolan-2-one

Statements

Identifiers

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