N-[(6R,7R,8R,8aR,10aS)-6-chloro-7-ethenyl-7,10,10-trimethyl-8-(methylideneamino)-9-oxo-6,8,8a,10a-tetrahydro-5H-anthracen-1-yl]formamide

AlkaPlorer ID: AK175527

Synonym: None

IUPAC Name: N-[(6R,7R,8R,8aR,10aS)-6-chloro-7-ethenyl-7,10,10-trimethyl-8-(methylideneamino)-9-oxo-6,8,8a,10a-tetrahydro-5H-anthracen-1-yl]formamide

Structure

SMILES: C=C[C@@]1(C)[C@H](Cl)C[C@H]2[C@@H](C(=O)C3=C(N=CO)C=CC=C3C2(C)C)[C@H]1N=C

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InChI: InChI=1S/C21H25ClN2O2/c1-6-21(4)15(22)10-13-17(19(21)23-5)18(26)16-12(20(13,2)3)8-7-9-14(16)24-11-25/h6-9,11,13,15,17,19H,1,5,10H2,2-4H3,(H,24,25)/t13-,15+,17-,19+,21-/m0/s1

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InChIKey: JTVDRBQJMSKYJO-ZLJARMQBSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 372.8960000000002

TPSA: 62.02

MolLogP: 4.883300000000004

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information