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Substance Name: Cardanolide, 14-hydroxy-3-((2-(4-hyroxyphenyl)ethyl)amino)-, (3beta,5beta)-
RN: 99223-91-3
InChIKey: ZFQCAVKXCHQLGE-UJMMTZMYSA-N

Molecular Formula

  • C31-H45-N-O4

Molecular Weight

  • 495.699
 
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Names and Synonyms

  • Cardanolide, 14-hydroxy-3-((2-(4-hyroxyphenyl)ethyl)amino)-, (3beta,5beta)-

Registry Numbers

CAS Registry Number

  • 99223-91-3

System Generated Number

  • 0099223913

Structure Descriptors

InChI

1S/C31H45NO4/c1-29-13-9-23(32-16-12-20-3-6-24(33)7-4-20)18-22(29)5-8-27-26(29)10-14-30(2)25(11-15-31(27,30)35)21-17-28(34)36-19-21/h3-4,6-7,21-23,25-27,32-33,35H,5,8-19H2,1-2H3/t21-,22+,23-,25+,26-,27+,29-,30+,31-/m0/s1

InChIKey

ZFQCAVKXCHQLGE-UJMMTZMYSA-N

Smiles

C1C[C@@]2([C@H]3CC[C@@]4([C@H](CC[C@@]4([C@@H]3CC[C@@H]2C[C@H]1NCCc1ccc(cc1)O)O)[C@@H]1COC(=O)C1)C)C