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Substance Name: Neocarzinostatin chromophore I
RN: 79633-18-4
UNII: 2SJ8J82D90
InChIKey: QZGIWPZCWHMVQL-UIYAJPBUSA-N

Molecular Formula

  • C35-H33-N-O12

Molecular Weight

  • 659.6407
 
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Names and Synonyms

Name of Substance

  • Neocarzinostatin chromophore I

Synonyms

  • Ncs-chrom
  • Neocarzinostatin chrom I
  • Neocarzinostatin chromophore
  • Neocarzinostatin chromophore A
  • Neocarzinostatin chromophore I
  • UNII-2SJ8J82D90

Registry Numbers

CAS Registry Number

  • 79633-18-4

FDA UNII

  • 2SJ8J82D90

System Generated Number

  • 0079633184

Structure Descriptors

InChI

1S/C35H33NO12/c1-16-12-19(42-4)14-22-20(16)8-9-23(37)27(22)32(40)45-24-13-18-10-11-35(26-15-43-34(41)46-26)25(48-35)7-5-6-21(18)31(24)47-33-28(36-3)30(39)29(38)17(2)44-33/h6,8-9,12-14,17,24-26,28-31,33,36-39H,15H2,1-4H3/b21-6+/t17-,24-,25-,26-,28-,29+,30-,31-,33-,35+/m1/s1

InChIKey

QZGIWPZCWHMVQL-UIYAJPBUSA-N

Smiles

CN[C@H]1[C@@H](O[C@H]2[C@H](OC(=O)c3c(O)ccc4c(C)cc(OC)cc34)C=C5C#C[C@@]6(O[C@@H]6C#C\C=C\2/5)[C@H]7COC(=O)O7)O[C@H](C)[C@H](O)[C@@H]1O