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Substance Name: Secophalloidin
RN: 35222-17-4
InChIKey: LNBNJXWHJWGHHN-UHFFFAOYSA-N

Molecular Formula

  • C35-H50-N8-O12-S

Molecular Weight

  • 806.89
 
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Names and Synonyms

  • Secophalloidin

Registry Numbers

CAS Registry Number

  • 35222-17-4

System Generated Number

  • 0035222174

Structure Descriptors

InChI

1S/C35H50N8O12S/c1-15(36)27(47)42-26(17(3)45)31(51)40-24-13-56-32-20(19-7-5-6-8-21(19)41-32)10-22(29(49)39-23(34(53)54)11-35(4,55)14-44)38-28(48)16(2)37-30(50)25-9-18(46)12-43(25)33(24)52/h5-8,15-18,22-26,41,44-46,55H,9-14,36H2,1-4H3,(H,37,50)(H,38,48)(H,39,49)(H,40,51)(H,42,47)(H,53,54)

InChIKey

LNBNJXWHJWGHHN-UHFFFAOYSA-N

Smiles

CC1C(=O)NC(Cc2c3ccccc3[nH]c2SCC(C(=O)N4CC(CC4C(=O)N1)O)NC(=O)C(C(C)O)NC(=O)C(C)N)C(=O)NC(CC(C)(CO)O)C(=O)O