CAS 17479-19-5 Dihydroergocristine - Analytical Products / Alfa Chemistry

CAT	APS17479195
CAS	17479-19-5
Structure
Synonyms	Dihydroergocristin, 8H-Oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine, ergotaman-3',6',18-trione deriv., 9,10-Dihydroergocristine, Indolo[4,3-fg]quinoline, ergotaman-3',6',18-trione deriv., Ergocristine, 9,10-dihydro- (8CI),Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'α,10α)-, (5'α,10α)-9,10-Dihydro-12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)ergotaman-3',6',18-trione, NSC 409663, Ergocristine, dihydro- (7CI), Dihydroergocristine
Molecular Weight	611.73
Molecular Formula	C35H41N5O5
Canonical SMILES	CC(C)[C@@]1(NC(=O)[C@@H]2C[C@H]3[C@@H](Cc4c[nH]c5cccc3c45)N(C)C2)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C1=O
InChI	InChI=1S/C35H41N5O5/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/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41)/t23-,25-,27-,28+,29+,34-,35+/m1/s1