(Q105163654)

English

4-O-[[(1R,4S,5R,9S,10S,13R)-5-formyl-5,9-dimethyl-13-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl] 1-O-methyl butanedioate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

1-{5-formyl-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-en-13-yl}methyl 4-methyl butanedioate

1 reference

based on heuristic

inferred from SMILES

mass

416.256274252 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₆O₅

0 references

canonical SMILES

O=CC1(C)CCCC2(C)C1CCC34C=CC(COC(=O)CCC(=O)OC)(CCC32)C4

0 references

isomeric SMILES

COC(=O)CCC(=O)OC[C@]12C=C[C@@]3(CC[C@H]4[C@@](C)(CCC[C@@]4(C)C=O)[C@@H]3CC1)C2

0 references

found in taxon

Polycalymma stuartii

1 reference

stated in

Neuartige Seco- und Nor-Beyeran-Derivate ausMyriocephalus stuartii

Identifiers

InChI

InChI=1S/C25H36O5/c1-22(16-26)9-4-10-23(2)18(22)8-12-25-14-13-24(15-25,11-7-19(23)25)17-30-21(28)6-5-20(27)29-3/h13-14,16,18-19H,4-12,15,17H2,1-3H3/t18-,19+,22+,23-,24+,25+/m1/s1

0 references

InChIKey

MGYIBPCLTDVOCT-JUXBCFJSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MGYIBPCLTDVOCT-JUXBCFJSSA-N

(Q105163654)

4-O-[[(1R,4S,5R,9S,10S,13R)-5-formyl-5,9-dimethyl-13-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl] 1-O-methyl butanedioate

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Identifiers

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