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Substance Name: TEI 9647
RN: 173388-20-0
InChIKey: SAODSJHDCZTVAT-CZADFQNYSA-N

Molecular Formula

  • C27-H38-O4

Molecular Weight

  • 426.5932
 
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Names and Synonyms

Name of Substance

  • TEI 9647

Systematic Name

  • 9,10-Secocholesta-5,7,10(19),25(27)-tetraen-26-oic acid, 1,3,23-trihydroxy-, gamma-lactone, (1alpha,3beta,5Z,7E,23S)-

Registry Numbers

CAS Registry Number

  • 173388-20-0

Other Registry Number

  • 1246849-95-5

System Generated Number

  • 0173388200

Structure Descriptors

InChI

1S/C27H38O4/c1-16(12-22-13-17(2)26(30)31-22)23-9-10-24-19(6-5-11-27(23,24)4)7-8-20-14-21(28)15-25(29)18(20)3/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b19-7+,20-8-/t16-,21-,22+,23-,24+,25+,27-/m1/s1

InChIKey

SAODSJHDCZTVAT-CZADFQNYSA-N

Smiles

C[C@H](C[C@H]1CC(=C)C(=O)O1)[C@H]2CC[C@H]3\C(=C\C=C/4\C[C@@H](O)C[C@H](O)C4=C)\CCC[C@]23C