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name Structure Reference Source Properties Activities Metabolism

(2S)-4-[(1S,4aS,4bS,6S,7S,8aS,10aS)-7-hydroxy-2,4b,8,8,10a-pentamethyl-6-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-1-yl]-2-aminobutanoic acid

AlkaPlorer ID: AK067035

Synonym: None

IUPAC Name: (2S)-4-[(1S,4aS,4bS,6S,7S,8aS,10aS)-7-hydroxy-2,4b,8,8,10a-pentamethyl-6-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-1-yl]-2-aminobutanoic acid

Structure

SMILES: CC1=CC[C@@H]2[C@]3(C)C[C@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)C(C)(C)[C@H]3CC[C@@]2(C)[C@H]1CC[C@H](N)C(=O)O

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InChI: InChI=1S/C29H49NO8/c1-14-7-10-20-28(5,16(14)8-9-17(30)25(35)36)12-11-19-27(3,4)24(34)18(13-29(19,20)6)38-26-23(33)22(32)21(31)15(2)37-26/h7,15-24,26,31-34H,8-13,30H2,1-6H3,(H,35,36)/t15-,16-,17-,18-,19+,20-,21-,22+,23+,24+,26-,28-,29+/m0/s1

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InChIKey: YJCRQRQABJDMCD-FGGMZTLESA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Nocardia brasiliensis Nocardia Nocardiaceae Mycobacteriales Actinomycetes Actinomycetota None Bacteria

Properties Information

Molecule Weight: 539.7100000000005

TPSA？: 162.7

MolLogP？: 2.187

Number of H-Donors: 6

Number of H-Acceptors: 8

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information