(Q105033539)

English

methyl (1S,2R,4aR,9aR)-1-[2-(furan-3-yl)ethyl]-4a-methoxy-1,2-dimethyl-3,4,5,8,9,9a-hexahydro-2H-benzo[7]annulene-6-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

methyl 1-[2-(furan-3-yl)ethyl]-4a-methoxy-1,2-dimethyl-3,4,5,8,9,9a-hexahydro-2H-benzo[7]annulene-6-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

360.230059504 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₂O₄

0 references

canonical SMILES

O=C(OC)C1=CCCC2C(OC)(C1)CCC(C)C2(C)CCC3=COC=C3

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isomeric SMILES

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

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found in taxon

Nidorella ivifolia

1 reference

stated in

Clerodan-Derivate und neuartige Diterpene ausConyza scabrida DC

Identifiers

InChI

InChI=1S/C22H32O4/c1-16-8-12-22(25-4)14-18(20(23)24-3)6-5-7-19(22)21(16,2)11-9-17-10-13-26-15-17/h6,10,13,15-16,19H,5,7-9,11-12,14H2,1-4H3/t16-,19-,21+,22-/m1/s1

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InChIKey

HTOGWGIDXDORHJ-ZKMOHVOUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HTOGWGIDXDORHJ-ZKMOHVOUSA-N

(Q105033539)

methyl (1S,2R,4aR,9aR)-1-[2-(furan-3-yl)ethyl]-4a-methoxy-1,2-dimethyl-3,4,5,8,9,9a-hexahydro-2H-benzo[7]annulene-6-carboxylate

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