CAS 511-07-9 MFCD N/A-(8alpha)-5'alpha-benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione 麦角异克碱 -LabNovo

SMILES: CC(C)[C@@]1(NC(=O)[C@@H]2C=C3c4cccc5[nH]cc(c45)C[C@@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O

Mol. Formula	C35H39N5O5

Chemical Name	(8alpha)-5'alpha-benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione
Chemical Name Translation	麦角异克碱
Chemicalbook ID	CB1930991
PubChem Substance ID	7067483
InChI	InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27+,28-,29-,34+,35-/m0/s1

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