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Substance Name: Aridanin
RN: 81053-26-1
InChIKey: VRFWJSCLROXBBW-FUHHSGJXSA-N

Note

  • From aridan (tetrapleura tetraptera).

Molecular Formula

  • C38-H61-N-O8

Molecular Weight

  • 659.899
 
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Names and Synonyms

Name of Substance

  • Aridanin

Synonym

  • Aridanin

Systematic Name

  • Olean-12-en-28-oic acid, 3-((2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)oxy)-, (3beta)-

Registry Numbers

CAS Registry Number

  • 81053-26-1

System Generated Number

  • 0081053261

Structure Descriptors

InChI

1S/C38H61NO8/c1-21(41)39-28-30(43)29(42)24(20-40)46-31(28)47-27-12-13-35(6)25(34(27,4)5)11-14-37(8)26(35)10-9-22-23-19-33(2,3)15-17-38(23,32(44)45)18-16-36(22,37)7/h9,23-31,40,42-43H,10-20H2,1-8H3,(H,39,41)(H,44,45)/t23-,24+,25-,26+,27-,28+,29+,30+,31-,35-,36+,37+,38-/m0/s1

InChIKey

VRFWJSCLROXBBW-FUHHSGJXSA-N

Smiles

C1=2[C@@]([C@@]3([C@@H]([C@@]4(CC[C@H](O[C@H]5[C@@H]([C@@H](O)[C@@H]([C@H](O5)CO)O)NC(=O)C)C([C@@H]4CC3)(C)C)C)CC2)C)(CC[C@@]2(C(=O)O)CCC(C[C@@H]12)(C)C)C