(Q105122433)

English

3-[(1R,2S,3S,6Z)-3-hydroxy-2,3-dimethyl-6-(1-oxopropan-2-ylidene)-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclohexyl]propyl decanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-[3-Hydroxy-2,3-dimethyl-6-(1-oxopropan-2-ylidene)-2-(4,8,12-trimethyltrideca-3,7,11-trienyl)cyclohexyl]propyl decanoate

1 reference

based on heuristic

inferred from SMILES

mass

612.511760656 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₆₈O₄

0 references

canonical SMILES

O=CC(=C1CCC(O)(C)C(C)(CCC=C(C)CCC=C(C)CCC=C(C)C)C1CCCOC(=O)CCCCCCCCC)C

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isomeric SMILES

CCCCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]1(C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C

0 references

found in taxon

Iris pseudacorus

1 reference

stated in

Metabolism of iridals in plant cell cultures of Iris pallida

Identifiers

InChI

InChI=1S/C40H68O4/c1-9-10-11-12-13-14-15-26-38(42)44-30-19-25-37-36(35(6)31-41)27-29-40(8,43)39(37,7)28-18-24-34(5)23-17-22-33(4)21-16-20-32(2)3/h20,22,24,31,37,43H,9-19,21,23,25-30H2,1-8H3/b33-22+,34-24+,36-35-/t37-,39+,40+/m1/s1

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InChIKey

IXRANGUGSVRSRI-MVNXMOOBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IXRANGUGSVRSRI-MVNXMOOBSA-N

(Q105122433)

3-[(1R,2S,3S,6Z)-3-hydroxy-2,3-dimethyl-6-(1-oxopropan-2-ylidene)-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclohexyl]propyl decanoate

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Identifiers

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