(Q105292501)

English

4-[[(1R,2R,3S,4aR,8aR)-3-hydroxy-1,4a,5-trimethyl-1-[2-(5-oxo-2H-furan-3-yl)ethyl]-2,3,4,7,8,8a-hexahydronaphthalen-2-yl]methoxy]-4-oxobutanoic acid

chemical compound

In more languages

Statements

type of chemical entity

0 references

4-[[3-hydroxy-1,4a,5-trimethyl-1-[2-(5-oxo-2H-furan-3-yl)ethyl]-2,3,4,7,8,8a-hexahydronaphthalen-2-yl]methoxy]-4-oxobutanoic acid

1 reference

based on heuristic

inferred from SMILES

434.230453428 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₄O₇

0 references

canonical SMILES

O=C1OCC(=C1)CCC2(C)C(COC(=O)CCC(=O)O)C(O)CC3(C(=CCCC32)C)C

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isomeric SMILES

CC1=CCC[C@H]2[C@@]1(C)C[C@H](O)[C@@H](COC(=O)CCC(=O)O)[C@]2(C)CCC1=CC(=O)OC1

0 references

Baccharis pteronioides

1 reference

Sesqui- and diterpenes from Baccharis species

Identifiers

InChI=1S/C24H34O7/c1-15-5-4-6-19-23(2,10-9-16-11-22(29)30-13-16)17(18(25)12-24(15,19)3)14-31-21(28)8-7-20(26)27/h5,11,17-19,25H,4,6-10,12-14H2,1-3H3,(H,26,27)/t17-,18+,19-,23+,24+/m1/s1

0 references

VSTUTLIQELECLS-CXUMOHRFSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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