(Q105031337)

English

methyl (4aR,5R,6R,8aS)-5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-4a,6,7,8-tetrahydronaphthalene-1-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

methyl 5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-4a,6,7,8-tetrahydronaphthalene-1-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

328.203844756 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (4aS,5S,6R,8aR)-5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-4a,6,7,8-tetrahydronaphthalene-1-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (4aS,5R,6R,8aS)-5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-4a,6,7,8-tetrahydronaphthalene-1-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₈O₃

0 references

canonical SMILES

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

0 references

isomeric SMILES

COC(=O)C1=CC=C[C@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)CCc1ccoc1

0 references

found in taxon

Grangea maderaspatana

1 reference

stated in

A clerodane derivative from Grangea maderaspatana

Identifiers

InChI

InChI=1S/C21H28O3/c1-15-8-11-21(3)17(19(22)23-4)6-5-7-18(21)20(15,2)12-9-16-10-13-24-14-16/h5-7,10,13-15,18H,8-9,11-12H2,1-4H3/t15-,18-,20-,21-/m1/s1

0 references

InChIKey

HOKLGVKZDXBQKC-ZQYQINFJSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HOKLGVKZDXBQKC-ZQYQINFJSA-N

(Q105031337)

methyl (4aR,5R,6R,8aS)-5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-4a,6,7,8-tetrahydronaphthalene-1-carboxylate

Statements

Identifiers

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