(Q105327050)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

daucane sesquiterpenoid

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mass

358.21440944 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₀O₄

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canonical SMILES

O=C(OC1CC(=CC(O)C2(C)CCC(O)(C(C)C)C12)C)C=3C=CC=CC3

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isomeric SMILES

CC1=C[C@@H](O)[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)c2ccccc2)C1

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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/C22H30O4/c1-14(2)22(25)11-10-21(4)18(23)13-15(3)12-17(19(21)22)26-20(24)16-8-6-5-7-9-16/h5-9,13-14,17-19,23,25H,10-12H2,1-4H3/t17-,18+,19+,21+,22+/m0/s1

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InChIKey

XFIOXSQDNUOOPB-LDNJSWSKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XFIOXSQDNUOOPB-LDNJSWSKSA-N

(Q105327050)

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

Statements

Identifiers

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