(Q105036071)

English

(3R)-5-[(5S,6aR,7S,8R,10aS)-5-hydroxy-7,8-dimethyl-3-oxo-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-7-yl]-3-methylpentanoic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

5-(5-hydroxy-7,8-dimethyl-3-oxo-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-7-yl)-3-methylpentanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

350.20932406 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R)-5-[(5R,6aR,7S,8R,10aS)-5-hydroxy-7,8-dimethyl-3-oxo-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-7-yl]-3-methylpentanoic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₅

0 references

canonical SMILES

O=C1OCC23C1=CC(O)CC2C(C)(CCC(C)CC(=O)O)C(C)CC3

0 references

isomeric SMILES

C[C@H](CC[C@@]1(C)[C@H](C)CC[C@@]23COC(=O)C2=C[C@@H](O)C[C@@H]31)CC(=O)O

0 references

found in taxon

Olearia teretifolia

1 reference

stated in

Clerodane and labdane derivatives from Olearia teretifolia

Identifiers

InChI

InChI=1S/C20H30O5/c1-12(8-17(22)23)4-6-19(3)13(2)5-7-20-11-25-18(24)15(20)9-14(21)10-16(19)20/h9,12-14,16,21H,4-8,10-11H2,1-3H3,(H,22,23)/t12-,13-,14-,16-,19+,20-/m1/s1

0 references

InChIKey

IAFJTWYMXVDEMA-RJECZMIFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IAFJTWYMXVDEMA-RJECZMIFSA-N

(Q105036071)

(3R)-5-[(5S,6aR,7S,8R,10aS)-5-hydroxy-7,8-dimethyl-3-oxo-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-7-yl]-3-methylpentanoic acid

Statements

Identifiers

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