(Q115949837)

English

[(3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-7-oxo-3-propan-2-yl-2,3a,4,8-tetrahydro-1H-azulen-4-yl] 4-hydroxy-3-methoxybenzoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

daucane sesquiterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

402.20423868 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3R,3aS,4R,8aR)-3-hydroxy-6,8a-dimethyl-7-oxo-3-propan-2-yl-2,3a,4,8-tetrahydro-1H-azulen-4-yl] 4-hydroxy-3-methoxybenzoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₃H₃₀O₆

0 references

canonical SMILES

O=C(OC1C=C(C(=O)CC2(C)CCC(O)(C(C)C)C12)C)C3=CC=C(O)C(OC)=C3

0 references

isomeric SMILES

COc1cc(C(=O)O[C@H]2C=C(C)C(=O)C[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]23)ccc1O

0 references

found in taxon

Ferula hermonis

1 reference

stated in

Antimicrobial antioxidant daucane sesquiterpenes from Ferula hermonis Boiss.

Identifiers

InChI

InChI=1S/C23H30O6/c1-13(2)23(27)9-8-22(4)12-17(25)14(3)10-19(20(22)23)29-21(26)15-6-7-16(24)18(11-15)28-5/h6-7,10-11,13,19-20,24,27H,8-9,12H2,1-5H3/t19-,20+,22+,23+/m0/s1

0 references

InChIKey

OZMABICMIHKNMC-KKSHJYNMSA-N

0 references

2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

OZMABICMIHKNMC-KKSHJYNMSA-N

(Q115949837)

[(3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-7-oxo-3-propan-2-yl-2,3a,4,8-tetrahydro-1H-azulen-4-yl] 4-hydroxy-3-methoxybenzoate

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Identifiers

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