(Q105327375)

English

[(1S,2R,4R,4aR,5S,8aR)-1-[2-(furan-3-yl)ethyl]-4-hydroxy-1,2-dimethyl-8-oxospiro[2,3,4,6,7,8a-hexahydronaphthalene-5,2'-oxirane]-4a-yl]methyl acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[1-[2-(Furan-3-yl)ethyl]-4-hydroxy-1,2-dimethyl-8-oxospiro[2,3,4,6,7,8a-hexahydronaphthalene-5,2'-oxirane]-4a-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

390.20423868 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₀O₆

0 references

canonical SMILES

O=C(OCC12C(O)CC(C)C(C)(CCC3=COC=C3)C2C(=O)CCC41OC4)C

0 references

isomeric SMILES

CC(=O)OC[C@@]12[C@H](O)C[C@@H](C)[C@](C)(CCc3ccoc3)[C@H]1C(=O)CC[C@@]21CO1

0 references

found in taxon

Teucrium fruticans

1 reference

stated in

Two new diterpenoids from Teucrium fruticans

Identifiers

InChI

InChI=1S/C22H30O6/c1-14-10-18(25)22(13-27-15(2)23)19(17(24)5-8-21(22)12-28-21)20(14,3)7-4-16-6-9-26-11-16/h6,9,11,14,18-19,25H,4-5,7-8,10,12-13H2,1-3H3/t14-,18-,19-,20+,21-,22-/m1/s1

0 references

InChIKey

XFXPUVAJQDQQQD-ZOXIZNQHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XFXPUVAJQDQQQD-ZOXIZNQHSA-N

(Q105327375)

[(1S,2R,4R,4aR,5S,8aR)-1-[2-(furan-3-yl)ethyl]-4-hydroxy-1,2-dimethyl-8-oxospiro[2,3,4,6,7,8a-hexahydronaphthalene-5,2'-oxirane]-4a-yl]methyl acetate

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