(Q105205450)

English

3-[(3R,4R,5S,6R,7Z,10S)-4,10-dihydroxy-3-[(2E,4E,6E)-1-hydroxy-6,10-dimethylundeca-2,4,6,9-tetraen-2-yl]-10-methyl-7-(1-oxopropan-2-ylidene)spiro[4.5]decan-6-yl]propyl decanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3-{1,10-dihydroxy-2-[(4E,6E)-1-hydroxy-6,10-dimethylundeca-2,4,6,9-tetraen-2-yl]-10-methyl-7-(1-oxopropan-2-ylidene)spiro[4.5]decan-6-yl}propyl decanoate

1 reference

based on heuristic

inferred from SMILES

mass

640.470289768 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₆₄O₆

0 references

canonical SMILES

O=CC(=C1CCC(O)(C)C2(CCC(C(=CC=CC(=CCC=C(C)C)C)CO)C2O)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@@]12CC[C@H](/C(=C\C=C\C(C)=C\CC=C(C)C)CO)[C@H]2O

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/C40H64O6/c1-7-8-9-10-11-12-13-22-37(43)46-27-16-21-36-34(32(5)28-41)23-25-39(6,45)40(36)26-24-35(38(40)44)33(29-42)20-15-19-31(4)18-14-17-30(2)3/h15,17-20,28,35-36,38,42,44-45H,7-14,16,21-27,29H2,1-6H3/b19-15+,31-18+,33-20-,34-32-/t35-,36-,38-,39+,40+/m1/s1

0 references

InChIKey

PBUFVTBEAOXKKG-ICCHAGRSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PBUFVTBEAOXKKG-ICCHAGRSSA-N

(Q105205450)

3-[(3R,4R,5S,6R,7Z,10S)-4,10-dihydroxy-3-[(2E,4E,6E)-1-hydroxy-6,10-dimethylundeca-2,4,6,9-tetraen-2-yl]-10-methyl-7-(1-oxopropan-2-ylidene)spiro[4.5]decan-6-yl]propyl decanoate

Statements

Identifiers

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