(1S,3R,4S,6R,7S,8R,13R,16S,17S,20R)-16-benzamido-7-[(1R)-1-(dimethylamino)ethyl]-13-hydroxy-4,8,17-trimethyl-19-oxapentacyclo[11.6.1.0³,¹¹.0⁴,⁸.0¹⁷,²⁰]icos-10-en-6-yl acetate
AlkaPlorer ID: AK138250
Synonym: None
IUPAC Name: [(1S,3R,4S,6R,7S,8R,13R,16S,17S,20R)-16-benzamido-7-[(1R)-1-(dimethylamino)ethyl]-13-hydroxy-4,8,17-trimethyl-19-oxapentacyclo[11.6.1.03,11.04,8.017,20]icos-10-en-6-yl] acetate
Structure
SMILES: CC(=O)O[C@@H]1C[C@@]2(C)[C@@H]3C[C@@H]4OC[C@]5(C)[C@@H](N=C(O)C6=CC=CC=C6)CC[C@@](O)(CC3=CC[C@]2(C)[C@H]1[C@@H](C)N(C)C)[C@@H]45
InChI: InChI=1S/C35H50N2O5/c1-21(37(6)7)29-27(42-22(2)38)19-34(5)25-17-26-30-32(3,20-41-26)28(36-31(39)23-11-9-8-10-12-23)14-16-35(30,40)18-24(25)13-15-33(29,34)4/h8-13,21,25-30,40H,14-20H2,1-7H3,(H,36,39)/t21-,25-,26+,27-,28+,29+,30+,32-,33-,34+,35-/m1/s1
InChIKey: RXLGMGRGCDFDRC-HLAUOVNOSA-N
Source
Properties Information
Molecule Weight: 578.7940000000002
TPSA？: 91.59
MolLogP？: 5.560400000000006
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 6
Activities Information
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