(Q105138087)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

daucane sesquiterpenoid

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mass

388.224974124 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₂O₅

0 references

canonical SMILES

O=C(OC1CC2(OC2CC3(C)CCC(O)(C(C)C)C13)C)C4=CC=C(OC)C=C4

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isomeric SMILES

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

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found in taxon

Ferula kuhistanica

1 reference

stated in

Sesquiterpenoids from Ferula kuhistanica

Identifiers

InChI

InChI=1S/C23H32O5/c1-14(2)23(25)11-10-21(3)13-18-22(4,28-18)12-17(19(21)23)27-20(24)15-6-8-16(26-5)9-7-15/h6-9,14,17-19,25H,10-13H2,1-5H3/t17-,18-,19+,21+,22+,23+/m0/s1

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InChIKey

KBBMTLAMOHLSEE-CNAOLAIUSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KBBMTLAMOHLSEE-CNAOLAIUSA-N

(Q105138087)

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

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Identifiers

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