(Q105157684)

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-hydroxy-3-methoxybenzoate

chemical compound

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instance of

type of chemical entity

0 references

subclass of

daucane sesquiterpenoid

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mass

404.219888744 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₂O₆

0 references

canonical SMILES

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

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isomeric SMILES

COc1cc(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)ccc1O

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found in taxon

Ferula orientalis

1 reference

stated in

New daucane and germacrane esters from Ferula orientalis var. orientalis

Ferula hermonis

1 reference

stated in

Antimicrobial antioxidant daucane sesquiterpenes from Ferula hermonis Boiss.

Identifiers

InChI

InChI=1S/C23H32O6/c1-13(2)23(26)9-8-21(3)12-18-22(4,29-18)11-17(19(21)23)28-20(25)14-6-7-15(24)16(10-14)27-5/h6-7,10,13,17-19,24,26H,8-9,11-12H2,1-5H3/t17-,18-,19+,21+,22+,23+/m0/s1

0 references

InChIKey

LUXHNMNHDPKHBY-CNAOLAIUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LUXHNMNHDPKHBY-CNAOLAIUSA-N

(Q105157684)

[(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-hydroxy-3-methoxybenzoate

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