(Q105000143)

English

[(3R,3aS,4S,8R,8aS)-3-hydroxy-6,8a-dimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-methoxybenzoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[3-Hydroxy-6,8a-dimethyl-8-(2-methylbut-2-enoyloxy)-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-methoxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

470.266838936 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₈O₆

0 references

canonical SMILES

O=C(OC1CC(=CC(OC(=O)C(=CC)C)C2(C)CCC(O)(C(C)C)C12)C)C3=CC=C(OC)C=C3

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isomeric SMILES

C/C=C(/C)C(=O)O[C@@H]1C=C(C)C[C@H](OC(=O)c2ccc(OC)cc2)[C@@H]2[C@]1(C)CC[C@@]2(O)C(C)C

0 references

found in taxon

Ferula communis

2 references

stated in

Isolation of daucane esters from Ferula communis var. Brevifolia

stated in

Daucane esters from Ferula communis subsp. communis

Ferula vesceritensis

1 reference

stated in

Phytochemical investigation and antimicrobial activity of crude extract of the roots of Ferula vesceritensis

Identifiers

InChI

InChI=1S/C28H38O6/c1-8-19(5)25(29)34-23-16-18(4)15-22(24-27(23,6)13-14-28(24,31)17(2)3)33-26(30)20-9-11-21(32-7)12-10-20/h8-12,16-17,22-24,31H,13-15H2,1-7H3/b19-8-/t22-,23+,24+,27+,28+/m0/s1

0 references

InChIKey

FREVCFKUUWCACL-SHDLGAEZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FREVCFKUUWCACL-SHDLGAEZSA-N

(Q105000143)

[(3R,3aS,4S,8R,8aS)-3-hydroxy-6,8a-dimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-methoxybenzoate

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Identifiers

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