(Q105216908)

English

[(1R,3aR,5R,6S,8S,8aS)-1,6,8-trihydroxy-3a,6-dimethyl-1-propan-2-yl-3,4,5,7,8,8a-hexahydro-2H-azulen-5-yl] 4-hydroxybenzoate

chemical compound

In more languages

Statements

type of chemical entity

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daucane sesquiterpenoid

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392.219888744 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₂O₆

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canonical SMILES

O=C(OC1CC2(C)CCC(O)(C(C)C)C2C(O)CC1(O)C)C3=CC=C(O)C=C3

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isomeric SMILES

CC(C)[C@]1(O)CC[C@]2(C)C[C@@H](OC(=O)c3ccc(O)cc3)[C@@](C)(O)C[C@H](O)[C@H]21

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1 reference

Daucanes and other constituents from Ferula sinaica

Identifiers

InChI=1S/C22H32O6/c1-13(2)22(27)10-9-20(3)12-17(21(4,26)11-16(24)18(20)22)28-19(25)14-5-7-15(23)8-6-14/h5-8,13,16-18,23-24,26-27H,9-12H2,1-4H3/t16-,17+,18+,20+,21-,22+/m0/s1

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PZBYTOJJGAKJAK-NDDOAYCYSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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