(6R,16S,18R,21R)-18,21-Dihydroxy-16,18-D

AlkaPlorer ID: AK022001

Synonym: None

IUPAC Name: (1R,2R,3Z,5R,7S,9Z,11R,13R,14S,15R,16S)-16-benzyl-2,5-dihydroxy-5,7,13,14-tetramethyl-17-azatricyclo[9.7.0.01,15]octadeca-3,9-diene-6,12,18-trione

Structure

SMILES: C[C@H]1[C@H]2[C@H](CC3=CC=CC=C3)N=C(O)[C@]23[C@H](O)/C=C\[C@@](C)(O)C(=O)[C@@H](C)C/C=C\[C@H]3C(=O)[C@@H]1C

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InChI: InChI=1S/C28H35NO5/c1-16-9-8-12-20-24(31)18(3)17(2)23-21(15-19-10-6-5-7-11-19)29-26(33)28(20,23)22(30)13-14-27(4,34)25(16)32/h5-8,10-14,16-18,20-23,30,34H,9,15H2,1-4H3,(H,29,33)/b12-8-,14-13-/t16-,17+,18+,20-,21-,22+,23-,27+,28+/m0/s1

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InChIKey: FAWYVFPVBYQAHD-NJEBVTKOSA-N

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Source

Properties Information

Molecule Weight: 465.59000000000026

TPSA: 107.19

MolLogP: 3.474700000000002

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information