(Q105184682)

English

(3S,4aR,5S,6R,8aS)-3-acetyloxy-5-[2-(furan-3-yl)ethyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

chemical compound

In more languages

Statements

type of chemical entity

0 references

NCGC00380526-01_C22H30O6_1-Naphthalenecarboxylic acid, 3-(acetyloxy)-5-[2-(3-furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-8a-(hydroxymethyl)-5,6-dimethyl-

1 reference

based on heuristic

inferred from SMILES

390.20423868 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₀O₆

0 references

canonical SMILES

O=C(O)C1=CC(OC(=O)C)CC2C1(CO)CCC(C)C2(C)CCC3=COC=C3

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isomeric SMILES

CC(=O)O[C@@H]1C=C(C(=O)O)[C@]2(CO)CC[C@@H](C)[C@](C)(CCc3ccoc3)[C@H]2C1

0 references

Baccharis halimifolia

1 reference

Sesqui- and diterpenes from Baccharis species

Identifiers

InChI=1S/C22H30O6/c1-14-4-8-22(13-23)18(20(25)26)10-17(28-15(2)24)11-19(22)21(14,3)7-5-16-6-9-27-12-16/h6,9-10,12,14,17,19,23H,4-5,7-8,11,13H2,1-3H3,(H,25,26)/t14-,17-,19-,21+,22-/m1/s1

0 references

NRNSOEIINXSQRA-ZKCBBZMJSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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