(1S,2R,5S,6R,7R,10S,11S,14S,15S)-14-[(1S)-1-(dimethylamino)ethyl]-2,15-dimethyl-5-(N-methylbenzamido)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-6-yl acetate
AlkaPlorer ID: AK015843
Synonym: None
IUPAC Name: [(3S,4R,5R,8S,9S,10R,13S,14S,17S)-3-[benzoyl(methyl)amino]-17-[(1S)-1-(dimethylamino)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate
Structure
SMILES: CC(=O)O[C@H]1[C@@H](N(C)C(=O)C2=CC=CC=C2)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)N(C)C)CC[C@H]4[C@@H]3CC[C@@H]12
InChI: InChI=1S/C33H50N2O3/c1-21(34(5)6)25-15-16-26-24-13-14-28-30(38-22(2)36)29(35(7)31(37)23-11-9-8-10-12-23)18-20-33(28,4)27(24)17-19-32(25,26)3/h8-12,21,24-30H,13-20H2,1-7H3/t21-,24-,25+,26-,27-,28-,29-,30+,32+,33+/m0/s1
InChIKey: ZQUSGHWWSCAMAR-RWBMJKMJSA-N
Reference
Cholinesterase inhibitory pregnane-type steroidal alkaloids from Sarcococca hookeriana
PubChem CID: 11249447
LOTUS: LTS0154484
SuperNatural Ⅲ: SN0477819-07
NPASS: NPC138885
Source
Properties Information
Molecule Weight: 522.7740000000005
TPSA？: 49.85
MolLogP？: 6.277800000000007
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 5
Activities Information
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