(Q105021569)

English

(9R,10S)-3alpha,15,18-Trihydroxylabda-8(20),13-dien-16-oic acid 16,15-lactone

chemical compound

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instance of

type of chemical entity

0 references

subclass of

2(5H)-Furanone, 3-[2-[decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-

1 reference

based on heuristic

inferred from SMILES

mass

334.21440944 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

11-Deoxyandrographolide

2 references

based on heuristic

inferred from InChIKey

1 reference

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

C₂₀H₃₀O₄

0 references

canonical SMILES

O=C1OCC=C1CCC2C(=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]1CCC1=CCOC1=O

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found in taxon

Andrographis paniculata

1 reference

stated in

Nine Newent-Labdane Diterpenoids from the Aerial Parts ofAndrographis paniculata

Identifiers

InChI

InChI=1S/C20H30O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h9,15-17,21-22H,1,4-8,10-12H2,2-3H3/t15-,16-,17-,19+,20+/m1/s1

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InChIKey

GVRNTWSGBWPJGS-QKMNUUQDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GVRNTWSGBWPJGS-QKMNUUQDSA-N

1 reference

(Q105021569)

(9R,10S)-3alpha,15,18-Trihydroxylabda-8(20),13-dien-16-oic acid 16,15-lactone

Statements

Identifiers

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