(Q105136949)

English

[(3R,3aS,4S,7S,8aR)-3,7-dihydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,7,8-hexahydroazulen-4-yl] 4-hydroxybenzoate

chemical compound

In more languages

Statements

type of chemical entity

0 references

(3,7-Dihydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,7,8-hexahydroazulen-4-yl) 4-hydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

374.20932406 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3R,3aS,4R,7S,8aR)-3,7-dihydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,7,8-hexahydroazulen-4-yl] 4-hydroxybenzoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₀O₅

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canonical SMILES

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

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isomeric SMILES

CC1=C[C@H](OC(=O)c2ccc(O)cc2)[C@@H]2[C@](C)(CC[C@@]2(O)C(C)C)C[C@@H]1O

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Ferula elaeochytris

1 reference

Activity of elaeochytrin A from Ferula elaeochytris on leukemia cell lines

Ferula hermonis

1 reference

Antimicrobial antioxidant daucane sesquiterpenes from Ferula hermonis Boiss.

1 reference

Sesquiterpene coumarins and sesquiterpenes from Ferula sinaica

Identifiers

InChI=1S/C22H30O5/c1-13(2)22(26)10-9-21(4)12-17(24)14(3)11-18(19(21)22)27-20(25)15-5-7-16(23)8-6-15/h5-8,11,13,17-19,23-24,26H,9-10,12H2,1-4H3/t17-,18-,19+,21+,22+/m0/s1

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JYELHVZHUTYKGP-JIWOIOHBSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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