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platencin A1 methyl ester

Go to external page http://purl.obolibrary.org/obo/CHEBI_68250

A polycyclic cage that is the methyl ester derivative of platencin A1. It is isolated from Streptomyces platensis.

Term info

Label

platencin A1 methyl ester

Synonyms
  • methyl 2,4-dihydroxy-3-({3-[(2R,4aR,8S,8aR,9R)-9-hydroxy-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoate
database cross reference
Subsets

3_STAR

IUPAC NAME
methyl 2,4-dihydroxy-3-({3-[(2R,4aR,8S,8aR,9R)-9-hydroxy-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoate [ IUPAC ]

charge

0

formula

C25H29NO7

has obo namespace

chebi_ontology

id

CHEBI:68250

inchi

InChI=1S/C25H29NO7/c1-13-12-25-9-6-18(28)24(2,17(25)10-14(13)11-19(25)29)8-7-20(30)26-21-16(27)5-4-15(22(21)31)23(32)33-3/h4-6,9,14,17,19,27,29,31H,1,7-8,10-12H2,2-3H3,(H,26,30)/t14-,17+,19-,24+,25+/m1/s1

inchikey

FHEDZLXSZGPRCC-GPDGHYKFSA-N

mass

455.50030

monoisotopicmass

455.19440

smiles

[H][C@@]12C[C@@H](O)[C@]3(CC1=C)C=CC(=O)[C@@](C)(CCC(=O)Nc1c(O)ccc(C(=O)OC)c1O)[C@]3([H])C2