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Substance Name: 5'-epi-beta-Ergocryptine
RN: 97415-41-3
InChIKey: YYWXOXLDOMRDHW-NRPQWYGASA-N

Molecular Formula

  • C32-H41-N5-O5

Molecular Weight

  • 575.706
 
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Names and Synonyms

  • 5'-epi-beta-Ergocryptine

Registry Numbers

CAS Registry Number

  • 97415-41-3

System Generated Number

  • 0097415413

Structure Descriptors

InChI

1S/C32H41N5O5/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20/h7,9-10,13,15,17-18,20,24-25,27,33,41H,6,8,11-12,14,16H2,1-5H3,(H,34,38)/t18?,20-,24-,25+,27?,31-,32+/m1/s1

InChIKey

YYWXOXLDOMRDHW-NRPQWYGASA-N

Smiles

C1=C2c3cccc4[nH]cc(c34)C[C@H]2[N@@](C)C[C@@H]1C(N[C@]1(C(N2[C@@H](C(N3CCC[C@@H]3[C@@]2(O1)O)=O)[C@@H](CC)C)=O)C(C)C)=O