CHEBI:182053 - 1-O-methyl 4-O-[[(5R,9S,13S)-5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl] butanedioate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 1-O-methyl 4-O-[[(5R,9S,13S)-5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl] butanedioate
ChEBI ID CHEBI:182053
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C25H38O4
Net Charge 0
Average Mass 402.575
Monoisotopic Mass 402.27701
InChI InChI=1S/C25H38O4/c1-22-12-8-19-24(3)11-5-10-23(2,17-29-21(27)7-6-20(26)28-4)18(24)9-13-25(19,16-22)15-14-22/h14-15,18-19H,5-13,16-17H2,1-4H3/t18?,19?,22-,23+,24-,25?/m1/s1
InChIKey CNEWEMXPRRKCTL-ZTHVCKICSA-N
SMILES O(C[C@]1(C2[C@](C3C4(C[C@](CC3)(C=C4)C)CC2)(CCC1)C)C)C(=O)CCC(OC)=O
ChEBI Ontology
Outgoing 1-O-methyl 4-O-[[(5R,9S,13S)-5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl] butanedioate (CHEBI:182053) is a diterpenoid (CHEBI:23849)
IUPAC Name
1-O-methyl 4-O-[[(5R,9S,13S)-5,9,13-trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methyl] butanedioate
Manual Xref Database
22913777 ChemSpider
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