Scillaren A

CAS Registry Number®

124-99-2
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CAS Name

Scillaren A

Molecular Formula

C36H52O13

Molecular Mass

692.79

Cite this Page

Scillaren A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=124-99-2 (retrieved 2024-05-18) (CAS RN: 124-99-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    193-194 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C36H52O13/c1-17-31(49-33-29(42)27(40)26(39)24(15-37)48-33)28(41)30(43)32(46-17)47-20-8-11-34(2)19(14-20)5-6-23-22(34)9-12-35(3)21(10-13-36(23,35)44)18-4-7-25(38)45-16-18/h4,7,14,16-17,20-24,26-33,37,39-44H,5-6,8-13,15H2,1-3H3/t17-,20-,21+,22-,23+,24+,26+,27-,28-,29+,30+,31-,32-,33-,34-,35+,36-/m0/s1

InChIKey

InChIKey=NXJOCELNFPGKIV-ARHXXGKOSA-N

SMILES

O[C@@]12[C@]3([C@@]([C@]4(C)C(CC3)=C[C@@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](C)O5)CC4)(CC[C@]1(C)[C@H](CC2)C=7C=CC(=O)OC7)[H])[H]

Canonical SMILES

O=C1OC=C(C=C1)C2CCC3(O)C4CCC5=CC(OC6OC(C)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC23C

Other Names for this Substance

  • Bufa-4,20,22-trienolide, 3-[(6-deoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-14-hydroxy-, (3β)-
  • Scillaren A
  • Bufa-4,20,22-trienolide, 3β-[(6-deoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-14-hydroxy-
  • (3β)-3-[(6-Deoxy-4-O-β-D-glucopyranosyl-α-L-mannopyranosyl)oxy]-14-hydroxybufa-4,20,22-trienolide
  • Transvaalin

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Deleted or Replaced CAS Registry Numbers

16853-22-8, 24101-22-2

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