(Q105257684)

English

[(1R,3S,3aR,9S,9aS)-3-acetyloxy-1-hydroxy-3a,6-dimethyl-1-propan-2-yl-3,4,7,8,9,9a-hexahydro-2H-cyclopenta[8]annulen-9-yl] 4-methoxybenzoate

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

444.251188872 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₆O₆

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canonical SMILES

O=C(OC1CCC(=CCC2(C)C(OC(=O)C)CC(O)(C(C)C)C12)C)C3=CC=C(OC)C=C3

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isomeric SMILES

COc1ccc(C(=O)O[C@H]2CCC(C)=CC[C@@]3(C)[C@@H](OC(C)=O)C[C@@](O)(C(C)C)[C@H]23)cc1

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found in taxon

Ferula vesceritensis

1 reference

stated in

Sesquiterpenes from aerial parts of Ferula vesceritensis.

Identifiers

InChI

InChI=1S/C26H36O6/c1-16(2)26(29)15-22(31-18(4)27)25(5)14-13-17(3)7-12-21(23(25)26)32-24(28)19-8-10-20(30-6)11-9-19/h8-11,13,16,21-23,29H,7,12,14-15H2,1-6H3/t21-,22-,23+,25-,26+/m0/s1

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InChIKey

SPYODEGYWFSTDZ-RZDFJLBCSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SPYODEGYWFSTDZ-RZDFJLBCSA-N

(Q105257684)

[(1R,3S,3aR,9S,9aS)-3-acetyloxy-1-hydroxy-3a,6-dimethyl-1-propan-2-yl-3,4,7,8,9,9a-hexahydro-2H-cyclopenta[8]annulen-9-yl] 4-methoxybenzoate

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Identifiers

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