(+)-Grossamide

Catalog Number	ACM80510061
CAS Number	80510-06-1
Synonyms	(2S,3S)-2-(4-Hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(E)-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide
Molecular Weight	624.7
InChI	InChI=1S/C36H36N2O8/c1-44-30-21-25(8-13-29(30)41)34-33(36(43)38-18-16-23-5-11-27(40)12-6-23)28-19-24(20-31(45-2)35(28)46-34)7-14-32(42)37-17-15-22-3-9-26(39)10-4-22/h3-14,19-21,33-34,39-41H,15-18H2,1-2H3,(H,37,42)(H,38,43)/b14-7+/t33-,34+/m0/s1
InChI Key	DROXVBRNXCRUHP-XALRPAEYSA-N
Purity	95%+
Complexity	995
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Exact Mass	624.24716611
Heavy Atom Count	46
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	5
Isomeric SMILES	COC1=CC(=CC2=C1O[C@@H]([C@H]2C(=O)NCCC3=CC=C(C=C3)O)C4=CC(=C(C=C4)O)OC)/C=C/C(=O)NCCC5=CC=C(C=C5)O
Monoisotopic Mass	624.24716611
PhysicalState	Powder
Rotatable Bond Count	12
Topological Polar Surface Area	147 Ų

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