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Substance Name: omega-Truxilline
RN: 113297-77-1
InChIKey: SYSWFFZJNZSEIZ-SQMRUFMQSA-N

Molecular Formula

  • C38-H46-N2-O8

Molecular Weight

  • 658.787
 
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Names and Synonyms

  • omega-Truxilline

Registry Numbers

CAS Registry Number

  • 113297-77-1

System Generated Number

  • 0113297771

Structure Descriptors

InChI

1S/C38H46N2O8/c1-39-23-15-17-25(39)31(35(41)45-3)27(19-23)47-37(43)33-29(21-11-7-5-8-12-21)30(22-13-9-6-10-14-22)34(33)38(44)48-28-20-24-16-18-26(40(24)2)32(28)36(42)46-4/h5-14,23-34H,15-20H2,1-4H3/t23-,24-,25+,26+,27?,28?,29-,30+,31+,32+,33-,34+/m0/s1

InChIKey

SYSWFFZJNZSEIZ-SQMRUFMQSA-N

Smiles

C(=O)(O[C@@H]1[C@@H]([C@@H]2CC[C@@H](C1)[N@@]2C)C(=O)OC)[C@H]1[C@H]([C@H]([C@H]1c1ccccc1)c1ccccc1)C(=O)O[C@@H]1[C@@H]([C@@H]2CC[C@@H](C1)[N@@]2C)C(=O)OC