Aridanin

CAS Registry Number®

81053-26-1

CAS Name

Aridanin

Molecular Formula

C38H61NO8

Molecular Mass

659.89

Cite this Page

Aridanin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81053-26-1 (retrieved 2024-10-04) (CAS RN: 81053-26-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=VRFWJSCLROXBBW-FUHHSGJXSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C(O)=O)(CC3)CCC(C)(C)C4)[H])=CC[C@@]1([C@]5(C)[C@@](CC2)(C(C)(C)[C@@H](O[C@H]6[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@@H](CO)O6)CC5)[H])[H]

Canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6NC(=O)C)C(C)(C)C5CCC4(C)C3(C)CC1

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-[[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]oxy]-, (3β)-
  • (3β)-3-[[2-(Acetylamino)-2-deoxy-β-D-glucopyranosyl]oxy]olean-12-en-28-oic acid
  • Aridanin
  • 3-O-(2-Acetamido-2-deoxy-β-D-glucopyranosyl)oleanolic acid

CAS INSIGHTSTM
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