N-Methyl pachysamine A
AlkaPlorer ID: AK054502
Synonym: 'N-Methylpachysamine A'
IUPAC Name: (3S,5S,8R,9S,10S,13S,14S,17S)-17-[(1R)-1-(dimethylamino)ethyl]-N,N,10,13-tetramethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-amine
Structure
SMILES: C[C@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C
InChI: InChI=1S/C25H46N2/c1-17(26(4)5)21-10-11-22-20-9-8-18-16-19(27(6)7)12-14-24(18,2)23(20)13-15-25(21,22)3/h17-23H,8-16H2,1-7H3/t17-,18+,19+,20+,21-,22+,23+,24+,25-/m1/s1
InChIKey: IHGKQRLXUYWOQB-OKLGQZCBSA-N
Reference
Bioactive 5α-Pregnane-Type Steroidal Alkaloids from <i>Sarcococca hookeriana</i>
PubChem CID: 163006875
LOTUS: LTS0197963
SuperNatural Ⅲ: SN0145587-04
NPASS: NPC132102
Source
Properties Information
Molecule Weight: 374.65700000000015
TPSA？: 6.48
MolLogP？: 5.525600000000006
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 4
Activities Information
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