Michellamines; (1R,1'''R,3R,3'''R,5Saxial,5'''Saxial)-form, 1,2-Didehydro 

AlkaPlorer ID: AK306425

Synonym: Michellamine A4 

IUPAC Name: None

Structure

SMILES: COC1=CC(C)=CC2=C(C3=C(O)C=C(O)C4=C3CC(C)N=C4C)C=C(C3=CC(C4=C(O)C=C(O)C5=C4CC(C)NC5C)=C4C=C(C)C=C(OC)C4=C3O)C(O)=C12

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InChI: InChI=1S/C46H46N2O8/c1-19-9-25-27(41-31-13-21(3)47-23(5)39(31)33(49)17-35(41)51)15-29(45(53)43(25)37(11-19)55-7)30-16-28(26-10-20(2)12-38(56-8)44(26)46(30)54)42-32-14-22(4)48-24(6)40(32)34(50)18-36(42)52/h9-12,15-18,21-23,47,49-54H,13-14H2,1-8H3

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InChIKey: ZYSRQUZDMBPEQQ-UHFFFAOYSA-N

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Reference

CAS: 1934306-69-0

Properties Information

Molecule Weight: 754.8800000000001

TPSA: 164.23

MolLogP: 9.210440000000002

Number of H-Donors: 7

Number of H-Acceptors: 10

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information