(Q105378242)

English

(1S,4aR,5R,7R,8aR)-7-acetyloxy-1,4a-dimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

chemical compound

In more languages

Statements

type of chemical entity

0 references

7-acetyloxy-1,4a-dimethyl-6-methylidene-5-(3-methylpenta-2,4-dienyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

360.230059504 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

7beta-Acetoxy-trans-communic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₂O₄

0 references

canonical SMILES

O=C(OC1C(=C)C(CC=C(C=C)C)C2(C)CCCC(C(=O)O)(C)C2C1)C

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isomeric SMILES

C=C/C(C)=C/C[C@H]1C(=C)[C@H](OC(C)=O)C[C@H]2[C@@](C)(C(=O)O)CCC[C@]12C

0 references

Chromolaena collina

2 references

A labdane derivative from Chromolaena collina and a p-hydroxyacetophenone derivative. From Stomatanthes corumbensis

A labdane derivative from Chromolaena collina and a p-hydroxyacetophenone derivative. From Stomatanthes corumbensis

Identifiers

InChI=1S/C22H32O4/c1-7-14(2)9-10-17-15(3)18(26-16(4)23)13-19-21(17,5)11-8-12-22(19,6)20(24)25/h7,9,17-19H,1,3,8,10-13H2,2,4-6H3,(H,24,25)/b14-9+/t17-,18+,19+,21+,22-/m0/s1

0 references

ZJXFDQVVYBKPMA-YJFYXXRUSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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