α-Antiarin

CAS Registry Number®

23605-05-2
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CAS Name

α-Antiarin

Molecular Formula

C29H42O11

Molecular Mass

566.64

Cite this Page

α-Antiarin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=23605-05-2 (retrieved 2024-04-24) (CAS RN: 23605-05-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    242-242.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)19-10-20(31)26(2)17(15-9-21(32)38-12-15)5-8-29(26,37)18(19)4-7-28(27,36)11-16/h9,13-14,16-20,22-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16+,17-,18-,19+,20-,22+,23-,24-,25+,26+,27+,28+,29+/m1/s1

InChIKey

InChIKey=MFIXZHBJWSBQJA-OZQKXHGLSA-N

SMILES

C(=O)[C@@]12[C@@]3([C@]([C@]4(O)[C@](C)([C@H](O)C3)[C@H](CC4)C5=CC(=O)OC5)(CC[C@]1(O)C[C@@H](O[C@H]6[C@H](O)[C@H](O)[C@@H](O)[C@@H](C)O6)CC2)[H])[H]

Canonical SMILES

O=CC12CCC(OC3OC(C)C(O)C(O)C3O)CC2(O)CCC4C1CC(O)C5(C)C(C6=CC(=O)OC6)CCC45O

Other Names for this Substance

  • Card-20(22)-enolide, 3-[(6-deoxy-β-D-gulopyranosyl)oxy]-5,12,14-trihydroxy-19-oxo-, (3β,5β,12β)-
  • α-Antiarin
  • (3β,5β,12β)-3-[(6-Deoxy-β-D-gulopyranosyl)oxy]-5,12,14-trihydroxy-19-oxocard-20(22)-enolide

Deleted or Replaced CAS Registry Numbers

1366-98-9, 53682-14-7, 744951-76-6, 908578-40-5, 904824-14-2

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