(Q105153907)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

682.480854452 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₆₆O₇

0 references

canonical SMILES

O=CC(=C1CCC(O)(C)C2(CCC(C(=CC=CC(=CCC=C(C)C)C)COC(=O)C)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)COC(C)=O)[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/C42H66O7/c1-8-9-10-11-12-13-14-23-39(45)48-28-17-22-38-36(33(5)29-43)24-26-41(7,47)42(38)27-25-37(40(42)46)35(30-49-34(6)44)21-16-20-32(4)19-15-18-31(2)3/h16,18-21,29,37-38,40,46-47H,8-15,17,22-28,30H2,1-7H3/b20-16+,32-19+,35-21-,36-33-/t37-,38-,40-,41+,42+/m1/s1

0 references

InChIKey

LMEBPARQXLCYCI-ZBHOCQPRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LMEBPARQXLCYCI-ZBHOCQPRSA-N

(Q105153907)

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

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