(Q105274674)

English

dimethyl (4aR,5S,6R,8aR)-5-[2-(furan-3-yl)ethyl]-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1,6-dicarboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

Dimethyl 5-[2-(furan-3-yl)ethyl]-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1,6-dicarboxylate

1 reference

based on heuristic

inferred from SMILES

mass

374.20932406 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

dimethyl (4aR,5R,6R,8aR)-5-[2-(furan-3-yl)ethyl]-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1,6-dicarboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

dimethyl (4aS,5S,6S,8aS)-5-[2-(furan-3-yl)ethyl]-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1,6-dicarboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₀O₅

0 references

canonical SMILES

O=C(OC)C1=CCCC2C1(C)CCC(C(=O)OC)C2(C)CCC3=COC=C3

0 references

isomeric SMILES

COC(=O)C1=CCC[C@@H]2[C@](C)(CCc3ccoc3)[C@H](C(=O)OC)CC[C@@]12C

0 references

found in taxon

Barringtonia racemosa

1 reference

stated in

Nasimaluns A and B: neo-clerodane diterpenoids from barringtonia racemosa

Identifiers

InChI

InChI=1S/C22H30O5/c1-21(11-8-15-10-13-27-14-15)17(20(24)26-4)9-12-22(2)16(19(23)25-3)6-5-7-18(21)22/h6,10,13-14,17-18H,5,7-9,11-12H2,1-4H3/t17-,18+,21+,22-/m0/s1

0 references

InChIKey

UKLZKUFVLXPLCP-KKXYHZGYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UKLZKUFVLXPLCP-KKXYHZGYSA-N

(Q105274674)

dimethyl (4aR,5S,6R,8aR)-5-[2-(furan-3-yl)ethyl]-5,8a-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1,6-dicarboxylate

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