(3β,5β)-3-[(2,6-Dideoxy-3-O-methyl-β-D-lyxo-hexopyranosyl)oxy]-8,14-epoxycard-20(22)-enolide

CAS Registry Number®

35109-93-4
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CAS Name

(3β,5β)-3-[(2,6-Dideoxy-3-O-methyl-β-D-lyxo-hexopyranosyl)oxy]-8,14-epoxycard-20(22)-enolide

Molecular Formula

C30H44O7

Molecular Mass

516.67

Cite this Page

(3β,5β)-3-[(2,6-Dideoxy-3-O-methyl-β-D-lyxo-hexopyranosyl)oxy]-8,14-epoxycard-20(22)-enolide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=35109-93-4 (retrieved 2024-05-03) (CAS RN: 35109-93-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    220-223 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C30H44O7/c1-17-26(32)22(33-4)15-25(35-17)36-20-6-9-27(2)19(14-20)5-11-29-23(27)8-10-28(3)21(7-12-30(28,29)37-29)18-13-24(31)34-16-18/h13,17,19-23,25-26,32H,5-12,14-16H2,1-4H3/t17-,19-,20+,21-,22-,23-,25+,26+,27+,28-,29+,30-/m1/s1

InChIKey

InChIKey=BYZQVAOKDQTHHP-QFUJVLJYSA-N

SMILES

C[C@@]12[C@@]3([C@@]4(O3)[C@@]([C@]5(C)[C@](CC4)(C[C@@H](O[C@H]6C[C@@H](OC)[C@@H](O)[C@@H](C)O6)CC5)[H])(CC1)[H])CC[C@@H]2C7=CC(=O)OC7

Canonical SMILES

O=C1OCC(=C1)C2CCC34OC54CCC6CC(OC7OC(C)C(O)C(OC)C7)CCC6(C)C5CCC23C

Other Names for this Substance

  • Card-20(22)-enolide, 3-[(2,6-dideoxy-3-O-methyl-β-D-lyxo-hexopyranosyl)oxy]-8,14-epoxy-, (3β,5β)-
  • Adynerin
  • 8,14-Epoxy-1H-cyclopenta[a]phenanthrene, card-20(22)-enolide deriv.
  • (3β,5β)-3-[(2,6-Dideoxy-3-O-methyl-β-D-lyxo-hexopyranosyl)oxy]-8,14-epoxycard-20(22)-enolide
  • Adynerigenin 3-O-β-D-diginoside

Deleted or Replaced CAS Registry Numbers

109175-63-5, 31564-45-1

CAS INSIGHTSTM
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