(Q105149361)

English

[(1S,3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-1-[(Z)-2-methylbut-2-enoyl]oxy-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] (Z)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[3-Hydroxy-6,8a-dimethyl-1-(2-methylbut-2-enoyloxy)-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

418.271924316 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₈O₅

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canonical SMILES

O=C(OC1CC(=CCC2(C)C(OC(=O)C(=CC)C)CC(O)(C(C)C)C12)C)C(=CC)C

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isomeric SMILES

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

0 references

found in taxon

Ferula communis

1 reference

stated in

Sesquiterpenoid esters from the fruits of Ferula communis

Identifiers

InChI

InChI=1S/C25H38O5/c1-9-17(6)22(26)29-19-13-16(5)11-12-24(8)20(30-23(27)18(7)10-2)14-25(28,15(3)4)21(19)24/h9-11,15,19-21,28H,12-14H2,1-8H3/b17-9-,18-10-/t19-,20-,21+,24-,25+/m0/s1

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InChIKey

LBJPCDBPHHIOKJ-OKFIYNGZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LBJPCDBPHHIOKJ-OKFIYNGZSA-N

(Q105149361)

[(1S,3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-1-[(Z)-2-methylbut-2-enoyl]oxy-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] (Z)-2-methylbut-2-enoate

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Identifiers

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