(Q105313666)

English

[(1aS,2S,2aS,5R,5aS,6S,7aR)-2-acetyloxy-5-hydroxy-2a,7a-dimethyl-5-propan-2-yl-2,3,4,5a,6,7-hexahydro-1aH-azuleno[6,7-b]oxiren-6-yl] (E)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(2-acetyloxy-5-hydroxy-2a,7a-dimethyl-5-propan-2-yl-2,3,4,5a,6,7-hexahydro-1aH-azuleno[6,7-b]oxiren-6-yl) 2-methylbut-2-enoate

1 reference

1 reference

[(2aS,5R,7aR)-2-acetyloxy-5-hydroxy-2a,7a-dimethyl-5-propan-2-yl-2,3,4,5a,6,7-hexahydro-1aH-azuleno[6,7-b]oxiren-6-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

394.235538808 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1aS,2S,2aS,5R,5aS,6S,7aR)-2-acetyloxy-5-hydroxy-2a,7a-dimethyl-5-propan-2-yl-2,3,4,5a,6,7-hexahydro-1aH-azuleno[6,7-b]oxiren-6-yl] (Z)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₄O₆

0 references

canonical SMILES

O=C(OC1CC2(OC2C(OC(=O)C)C3(C)CCC(O)(C(C)C)C13)C)C(=CC)C

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isomeric SMILES

C/C=C(\C)C(=O)O[C@H]1C[C@@]2(C)O[C@H]2[C@@H](OC(C)=O)[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]12

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found in taxon

Ferula vesceritensis

1 reference

stated in

A crystal lapiferin derived from Ferula vesceritensis induces apoptosis pathway in MCF-7 breast cancer cells

Ferula linkii

1 reference

stated in

Eight carotane sesquiterpenes from Ferula linkii

Ferula arrigonii

1 reference

stated in

Daucane esters from Ferula arrigonii

Ferula ovina

2 references

stated in

Terpenoids ofFerula lapidosa

stated in

Structure and stereochemistry of lapiferin

Ferula lapidosa

2 references

stated in

Terpenoids ofFerula lapidosa

stated in

Structure and stereochemistry of lapiferin

Ferula latipinna

1 reference

stated in

Humulenes and Other Constituents of Ferula latipinna

Ferula soongarica

1 reference

stated in

Esters ofFerula soongarcia andFerulia subtilis

Identifiers

InChI

InChI=1S/C22H34O6/c1-8-13(4)19(24)27-15-11-21(7)18(28-21)17(26-14(5)23)20(6)9-10-22(25,12(2)3)16(15)20/h8,12,15-18,25H,9-11H2,1-7H3/b13-8+/t15-,16+,17+,18-,20-,21+,22+/m0/s1

0 references

InChIKey

WVPPLOSRTXOZAP-GTRIHBNGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WVPPLOSRTXOZAP-GTRIHBNGSA-N

1 reference

(Q105313666)

[(1aS,2S,2aS,5R,5aS,6S,7aR)-2-acetyloxy-5-hydroxy-2a,7a-dimethyl-5-propan-2-yl-2,3,4,5a,6,7-hexahydro-1aH-azuleno[6,7-b]oxiren-6-yl] (E)-2-methylbut-2-enoate

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