(Q105327512)

English

[(3R,3aS,4S,8R,8aS)-8-acetyloxy-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

daucane sesquiterpenoid

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mass

416.219888744 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₂O₆

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canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Ferula vesceritensis

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C24H32O6/c1-14(2)24(28)11-10-23(5)20(29-16(4)25)13-15(3)12-19(21(23)24)30-22(27)17-6-8-18(26)9-7-17/h6-9,13-14,19-21,26,28H,10-12H2,1-5H3/t19-,20+,21+,23+,24+/m0/s1

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InChIKey

XGDKDBPCTUJBNO-APTBEKPVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XGDKDBPCTUJBNO-APTBEKPVSA-N

(Q105327512)

[(3R,3aS,4S,8R,8aS)-8-acetyloxy-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate

Statements

Identifiers

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