(Q105324035)

English

(3R,5S,6R,8E,16Z,22S,24R,29Z,34S)-8,16,29-trimethyl-13,25,35,38-tetraoxoheptacyclo[25.5.3.211,14.16,20.03,24.05,22.024,34]octatriaconta-1,8,11,14(37),16,20(36),26,29-octaene-5-carbaldehyde

chemical compound

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type of chemical entity

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subclass of

8,16,29-Trimethyl-13,25,35,38-tetraoxoheptacyclo[25.5.3.211,14.16,20.03,24.05,22.024,34]octatriaconta-1,8,11,14(37),16,20(36),26,29-octaene-5-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

(8Z,16E,29Z)-8,16,29-trimethyl-13,25,35,38-tetraoxoheptacyclo[25.5.3.211,14.16,20.03,24.05,22.024,34]octatriaconta-1,8,11,14(37),16,20(36),26,29-octaene-5-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

mass

630.334524572 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₄₆O₅

0 references

canonical SMILES

O=CC12CC3C=C4CCC=C(C)CC5=CC(=O)C3(CC2CC6=CC1CC(=CCC7=CC(=O)C(=CC7=O)CC(=CCC6)C)C)C(C5=O)C4

0 references

isomeric SMILES

C/C1=C/CCC2=C[C@@H](C/C(C)=C/CC3=CC(=O)C(=CC3=O)C1)[C@]1(C=O)C[C@@H]3C=C4CC/C=C(/C)CC5=CC(=O)[C@@]3(C[C@@H]1C2)[C@H](C4)C5=O

0 references

found in taxon

Aplidium longithorax

1 reference

stated in

Longithorones, Unique Prenylated Para- and Metacyclophane Type Quinones from the TunicateAplidium longithorax

Identifiers

InChI

InChI=1S/C42H46O5/c1-25-6-4-8-28-15-33(14-27(3)10-11-30-19-38(45)31(12-25)20-37(30)44)41(24-43)22-35-17-29-9-5-7-26(2)13-32-21-39(46)42(35,23-34(41)16-28)36(18-29)40(32)47/h6-7,10,15,17,19-21,24,33-36H,4-5,8-9,11-14,16,18,22-23H2,1-3H3/b25-6-,26-7-,27-10+/t33-,34+,35+,36-,41-,42-/m1/s1

0 references

InChIKey

XAOPIXYTATVACB-ZMAYIXCUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XAOPIXYTATVACB-ZMAYIXCUSA-N

1 reference

(Q105324035)

(3R,5S,6R,8E,16Z,22S,24R,29Z,34S)-8,16,29-trimethyl-13,25,35,38-tetraoxoheptacyclo[25.5.3.211,14.16,20.03,24.05,22.024,34]octatriaconta-1,8,11,14(37),16,20(36),26,29-octaene-5-carbaldehyde

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