(Q105128208)

English

[(3R,3aR,4S,8aS)-3-hydroxy-6,8a-dimethyl-8-oxo-3-propan-2-yl-2,3a,4,5-tetrahydro-1H-azulen-4-yl] 4-methoxybenzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-hydroxy-3-isopropyl-6,8a-dimethyl-8-oxo-2,3a,4,5-tetrahydro-1H-azulen-4-yl 4-methoxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

386.20932406 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₀O₅

0 references

canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Ferula communis

1 reference

stated in

Sesquiterpenoid esters from the fruits of Ferula communis

Identifiers

InChI

InChI=1S/C23H30O5/c1-14(2)23(26)11-10-22(4)19(24)13-15(3)12-18(20(22)23)28-21(25)16-6-8-17(27-5)9-7-16/h6-9,13-14,18,20,26H,10-12H2,1-5H3/t18-,20-,22+,23+/m0/s1

0 references

InChIKey

JHSUGYXTAJCJKL-NEKRIBJYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JHSUGYXTAJCJKL-NEKRIBJYSA-N

(Q105128208)

[(3R,3aR,4S,8aS)-3-hydroxy-6,8a-dimethyl-8-oxo-3-propan-2-yl-2,3a,4,5-tetrahydro-1H-azulen-4-yl] 4-methoxybenzoate

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Identifiers

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