[(1S,2R,5S,10R,11S,14S,15R)-5-(dimethylamino)-14-[(1S)-1-(dimethylamino)ethyl]-2-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-15-yl]methanol
AlkaPlorer ID: AK008197
Synonym: None
IUPAC Name: [(3S,8R,9S,10R,13R,14S,17S)-3-(dimethylamino)-17-[(1S)-1-(dimethylamino)ethyl]-10-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-13-yl]methanol
Structure
SMILES: C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@]12CO)N(C)C
InChI: InChI=1S/C25H44N2O/c1-17(26(3)4)21-9-10-23-20-8-7-18-15-19(27(5)6)11-13-24(18,2)22(20)12-14-25(21,23)16-28/h7,17,19-23,28H,8-16H2,1-6H3/t17-,19-,20+,21+,22-,23-,24-,25-/m0/s1
InChIKey: UCNIUVSOJLHWRM-DPBQVHGISA-N
Reference
Steroidal alkaloids from Holarrhena antidysenterica☆
PubChem CID: 14543701
LOTUS: LTS0232970
SuperNatural Ⅲ: SN0366768-07
NPASS: NPC116350
Source
Properties Information
Molecule Weight: 388.64000000000016
TPSA？: 26.71
MolLogP？: 4.418100000000004
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 4
Activities Information
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