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Substance Name: Carda-14,20(22)-dienolide, 3-((2-(4-hyroxyphenyl)ethyl)amino)-, (3beta,5beta)-
RN: 99223-90-2
InChIKey: ZAXNNCHASFVMSR-BHWOTCLQSA-N

Molecular Formula

  • C31-H41-N-O3

Molecular Weight

  • 475.669
 
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Names and Synonyms

  • Carda-14,20(22)-dienolide, 3-((2-(4-hyroxyphenyl)ethyl)amino)-, (3beta,5beta)-

Registry Numbers

CAS Registry Number

  • 99223-90-2

System Generated Number

  • 0099223902

Structure Descriptors

InChI

1S/C31H41NO3/c1-30-14-11-23(32-16-13-20-3-6-24(33)7-4-20)18-22(30)5-8-25-27-10-9-26(21-17-29(34)35-19-21)31(27,2)15-12-28(25)30/h3-4,6-7,10,17,22-23,25-26,28,32-33H,5,8-9,11-16,18-19H2,1-2H3/t22-,23+,25+,26-,28+,30+,31-/m1/s1

InChIKey

ZAXNNCHASFVMSR-BHWOTCLQSA-N

Smiles

C1[C@@H](C[C@H]2CC[C@H]3C4=CC[C@@H](C=5COC(=O)C5)[C@@]4(C)CC[C@H]3[C@@]2(C1)C)NCCc1ccc(cc1)O