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Substance Name: Precorrin 8x
RN: 139663-56-2
InChIKey: PSSCODUYIWEFBP-YBZAKIKXSA-N

Molecular Weight

  • 880.983
 
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Names and Synonyms

Name of Substance

  • Precorrin 8x

Synonym

  • Precorrin-8x

Systematic Name

  • 3,7,12,17-Corrintetrapropanoic acid, 2,13,18-tris(carboxymethyl)-4,5,6,7,8,11,12,22-octadehydro-4,5,6,9,10,11,21,22-octahydro-3,5,8,9,13,15,18,19-octamethyl-, (1R-(1alpha,2alpha,3beta,9beta,13alpha,17beta,18alpha,19beta))-

Registry Numbers

CAS Registry Number

  • 139663-56-2

System Generated Number

  • 0139663562

Structure Descriptors

InChI

1S/C45H60N4O14/c1-21-37-26(11-14-32(54)55)43(6,20-36(62)63)45(8,49-37)40-27(17-34(58)59)41(4,16-15-33(56)57)29(46-40)18-28-24(9-12-30(50)51)22(2)44(7,48-28)23(3)38-25(10-13-31(52)53)42(5,19-35(60)61)39(21)47-38/h18,23,26-27,40,46,49H,9-17,19-20H2,1-8H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/b29-18-,37-21-

InChIKey

PSSCODUYIWEFBP-YBZAKIKXSA-N

Smiles

C[C@@]1(C(=C2[C@@H]([C@@]3(C(=C(C(C=C4[C@@]([C@@H]([C@@H](N4)[C@@]4([C@@]([C@@H](C(N4)=C(C1=N2)C)CCC(O)=O)(C)CC(O)=O)C)CC(O)=O)(C)CCC(O)=O)=N3)CCC(O)=O)C)C)C)CCC(O)=O)CC(O)=O