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Substance Name: Precorrin 6y
RN: 139663-55-1
InChIKey: NWRSYSRVTYBWJV-OTMNIUQESA-N

Molecular Formula

  • C44-H56-N4-O16

Molecular Weight

  • 896.9384
 
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Names and Synonyms

Name of Substance

  • Precorrin 6y

Synonym

  • Precorrin-6y

Systematic Name

  • 3,7,12,17-Corrintetrapropanoic acid, 2,8,13,18-tetrakis(carboxymethyl)-7,8,11,12-tetradehydro-9,10,11,22-tetrahydro-3,9,13,18,19-pentamethyl-, (1R-(1alpha,2alpha,3beta,9beta,13alpha,17beta,18alpha,19beta))-

Registry Numbers

CAS Registry Number

  • 139663-55-1

System Generated Number

  • 0139663551

Structure Descriptors

InChI

1S/C44H56N4O16/c1-40(13-12-34(55)56)25(15-36(59)60)39-44(5)42(3,20-38(63)64)23(8-11-33(53)54)27(48-44)17-30-41(2,19-37(61)62)22(7-10-32(51)52)28(45-30)18-43(4)24(14-35(57)58)21(6-9-31(49)50)26(47-43)16-29(40)46-39/h16-17,23,25,39,47-48H,6-15,18-20H2,1-5H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)/b26-16-,27-17-

InChIKey

NWRSYSRVTYBWJV-OTMNIUQESA-N

Smiles

CC12CC3=C(C(C(=N3)/C=C\4/C(C(C(N4)(C5C(C(C(=N5)/C=C(\N1)/C(=C2CC(=O)O)CCC(=O)O)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O)(C)CC(=O)O)CCC(=O)O