(Q105181639)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

368.219888744 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

12S,13S-Hydroxyandrographilide

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

12R,13R-Hydroxyandrographilide

1 reference

based on heuristic

inferred from InChI

(3R,4S)-3-[(1S)-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]-1-hydroxyethyl]-4-hydroxyoxolan-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₂O₆

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canonical SMILES

O=C1OCC(O)C1C(O)CC2C(=C)CCC3C(C)(CO)C(O)CCC23C

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isomeric SMILES

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

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found in taxon

Andrographis paniculata

1 reference

stated in

ent-Labdane diterpenoid lactone stereoisomers from Andrographis paniculata

Identifiers

InChI

InChI=1S/C20H32O6/c1-11-4-5-15-19(2,7-6-16(24)20(15,3)10-21)12(11)8-13(22)17-14(23)9-26-18(17)25/h12-17,21-24H,1,4-10H2,2-3H3/t12-,13-,14-,15+,16-,17+,19-,20-/m1/s1

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InChIKey

NLYQWYLWLQBMPF-GLIPORHHSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105181639)

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

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Identifiers

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