(Q105259598)

English

(Z)-2-[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]ethyl]-4-hydroxybut-2-enoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

352.224974124 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(Z)-2-[2-[(1R,4aR,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-4-hydroxybut-2-enoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₂O₅

0 references

canonical SMILES

O=C(O)C(=CCO)CCC1C(=C)CCC2C(C)(CO)C(O)CCC12C

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isomeric SMILES

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

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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/C20H32O5/c1-13-4-7-16-19(2,10-8-17(23)20(16,3)12-22)15(13)6-5-14(9-11-21)18(24)25/h9,15-17,21-23H,1,4-8,10-12H2,2-3H3,(H,24,25)/b14-9-/t15-,16+,17-,19+,20+/m1/s1

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InChIKey

SSCXIOHKJCIXKI-KWKBPYNPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SSCXIOHKJCIXKI-KWKBPYNPSA-N

1 reference

(Q105259598)

(Z)-2-[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]ethyl]-4-hydroxybut-2-enoic acid

Statements

Identifiers

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