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Substance Name: Calphostin I
RN: 124857-59-6
InChIKey: MQFBHTBQDHLAQJ-UHFFFAOYSA-N

Molecular Weight

  • 790.77
 
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Names and Synonyms

Name of Substance

  • Calphostin I

Synonym

  • Ucn 1028 I

Systematic Name

  • Benzoic acid, 4-hydroxy-, (3,10-dihydro-4,9-dihydroxy-2,6,7,11-tetramethoxy-3,10-dioxo-1,12-perylenediyl)bis(1-methyl-2,1-ethanediyl) ester

Registry Numbers

CAS Registry Number

  • 124857-59-6

System Generated Number

  • 0124857596

Structure Descriptors

InChI

1S/C44H38O14/c1-19(57-43(51)21-7-11-23(45)12-8-21)15-25-31-32-26(16-20(2)58-44(52)22-9-13-24(46)14-10-22)42(56-6)40(50)34-28(48)18-30(54-4)36(38(32)34)35-29(53-3)17-27(47)33(37(31)35)39(49)41(25)55-5/h7-14,17-20,45-48H,15-16H2,1-6H3

InChIKey

MQFBHTBQDHLAQJ-UHFFFAOYSA-N

Smiles

c1(c(c(c2c(cc(c3c4c(cc(c5c(c(c(c(c45)c1c23)C[C@@H](C)OC(c1ccc(cc1)O)=O)OC)=O)O)OC)OC)O)=O)OC)C[C@@H](C)OC(c1ccc(cc1)O)=O