UNPD149849

AlkaPlorer ID: AK216944

Synonym: None

IUPAC Name: methyl (1R,2S,4aR,4bS,7E,8R,8aS,9S,10aR)-2,9-dihydroxy-7-[2-[2-hydroxyethyl(methyl)amino]-2-oxoethylidene]-1,4a,8-trimethyl-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate

Structure

SMILES: COC(=O)[C@]1(C)[C@@H]2C[C@H](O)[C@H]3[C@@H](C)/C(=C/C(=O)N(C)CCO)CC[C@@H]3[C@@]2(C)CC[C@@H]1O

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InChI: InChI=1S/C24H39NO6/c1-14-15(12-20(29)25(4)10-11-26)6-7-16-21(14)17(27)13-18-23(16,2)9-8-19(28)24(18,3)22(30)31-5/h12,14,16-19,21,26-28H,6-11,13H2,1-5H3/b15-12+/t14-,16-,17-,18+,19-,21-,23+,24+/m0/s1

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InChIKey: MAYAXGHCLYHEPK-SYRWKWAMSA-N

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Source

Properties Information

Molecule Weight: 437.57700000000034

TPSA: 107.3

MolLogP: 1.7468999999999988

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