Stephalonine F

AlkaPlorer ID: AK104273

Synonym: '(-)-Stephalonine F'

IUPAC Name: [(1S,8S,10S,11R,12S,13S)-3-hydroxy-4,11,12-trimethoxy-17-methyl-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-trien-13-yl] benzoate

Structure

SMILES: COC1=CC=C2C(=C1O)[C@@]13CCN(C)[C@@]14C[C@@H]2O[C@@]4(OC)[C@@H](OC)[C@@H](OC(=O)C1=CC=CC=C1)C3

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InChI: InChI=1S/C27H31NO7/c1-28-13-12-25-14-20(34-24(30)16-8-6-5-7-9-16)23(32-3)27(33-4)26(25,28)15-19(35-27)17-10-11-18(31-2)22(29)21(17)25/h5-11,19-20,23,29H,12-15H2,1-4H3/t19-,20-,23-,25-,26-,27-/m0/s1

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InChIKey: XSPFNECVBQIBMU-SXHJYDLJSA-N

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Source

Properties Information

Molecule Weight: 481.5450000000002

TPSA: 86.69000000000003

MolLogP: 3.174900000000002

Number of H-Donors: 1

Number of H-Acceptors: 8

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information