(1R,2S,5S,6S,9R,12S,13R)-N,6,13-trimethyl-7-azapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icosa-16,18-dien-16-amine
AlkaPlorer ID: AK002945
Synonym: None
IUPAC Name: (1R,2S,5S,6S,9R,12S,13R)-N,6,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-16,18-dien-16-amine
Structure
SMILES: CNC1=CC2=CC[C@H]3[C@@H]4CC[C@@H]5[C@H](C)NC[C@@]54CC[C@@H]3[C@@]2(C)CC1
InChI: InChI=1S/C22H34N2/c1-14-18-6-7-20-17-5-4-15-12-16(23-3)8-10-21(15,2)19(17)9-11-22(18,20)13-24-14/h4,12,14,17-20,23-24H,5-11,13H2,1-3H3/t14-,17+,18+,19-,20-,21-,22-/m0/s1
InChIKey: CUBFRIYMPHETLI-LJZXKFISSA-N
Reference
Three new steroidal alkaloids from the bark of Holarrhena antidysenterica
PubChem CID: 162981975
LOTUS: LTS0141162
SuperNatural Ⅲ: SN0055604-03
NPASS: NPC145773
Source
Properties Information
Molecule Weight: 326.52800000000013
TPSA？: 24.06
MolLogP？: 4.250400000000004
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 5
Activities Information
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