BETA-ERGOCRYPTINE ,20315-46-2 _Chemical Cloud Database

BETA-ERGOCRYPTINE

Basic Information
Product Name：	BETA-ERGOCRYPTINE
CAS：	20315-46-2
English Synonyms：	BETA-ERGOCRYPTINE
MDL Number.：	MFCD01729363
H bond acceptor：	10
H bond donor：	3
Smile：	CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5Cc6c[nH]c7c6c(ccc7)C5=C4)C)O
InChi：	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-/m0/s1
InChiKey：	InChIKey=YYWXOXLDOMRDHW-SDMXVIBFSA-N

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