UNPD120027

AlkaPlorer ID: AK319506

Synonym: None

IUPAC Name: 2-(methylamino)ethyl (2E)-2-(8-formyl-7,10-dihydroxy-1,4b,8-trimethyl-3,4,4a,5,6,7,8a,9,10,10a-decahydro-1H-phenanthren-2-ylidene)acetate

Structure

SMILES: CNCCOC(=O)/C=C1\CCC2C(C(O)CC3C(C)(C=O)C(O)CCC23C)C1C

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InChI: InChI=1S/C23H37NO5/c1-14-15(11-20(28)29-10-9-24-4)5-6-16-21(14)17(26)12-18-22(16,2)8-7-19(27)23(18,3)13-25/h11,13-14,16-19,21,24,26-27H,5-10,12H2,1-4H3/b15-11+

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InChIKey: UYLBTGMINJIZAG-RVDMUPIBSA-N

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Reference

PubChem CID: 5476322

NPASS: NPC260382

Properties Information

Molecule Weight: 407.55100000000016

TPSA: 95.86

MolLogP: 2.084699999999999

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information