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platencin A3 methyl ester

Go to external page http://purl.obolibrary.org/obo/CHEBI_68254

A polycyclic cage that is the methyl ester derivative of platencin A3. It is isolated from Streptomyces platensis.

Term info

Label

platencin A3 methyl ester

Synonyms
  • methyl 2,4-dihydroxy-3-({3-[(2S,4S,4aS,8S,8aR)-4-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-[(2S,4S,4aS,8S,8aR)-4-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:68254

inchi

InChI=1S/C25H29NO7/c1-13-14-6-10-25(22(13)31)11-7-18(28)24(2,17(25)12-14)9-8-19(29)26-20-16(27)5-4-15(21(20)30)23(32)33-3/h4-5,7,11,14,17,22,27,30-31H,1,6,8-10,12H2,2-3H3,(H,26,29)/t14-,17-,22-,24-,25-/m0/s1

inchikey

BFEICNQOVVWVIP-CDVZQOEQSA-N

mass

455.50030

monoisotopicmass

455.19440

smiles

[H][C@]12CC[C@@]3(C=CC(=O)[C@@](C)(CCC(=O)Nc4c(O)ccc(C(=O)OC)c4O)[C@]3([H])C1)[C@@H](O)C2=C