Yadanzioside A

CAS Registry Number®

95258-15-4
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CAS Name

Yadanzioside A

Molecular Formula

C32H44O16

Molecular Mass

684.68

Cite this Page

Yadanzioside A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=95258-15-4 (retrieved 2024-08-13) (CAS RN: 95258-15-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    223-226 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C32H44O16/c1-11(2)6-17(34)48-23-25-31-10-44-32(25,29(42)43-5)26(40)22(39)24(31)30(4)8-14(18(35)12(3)13(30)7-16(31)47-27(23)41)45-28-21(38)20(37)19(36)15(9-33)46-28/h8,11-13,15-16,19-26,28,33,36-40H,6-7,9-10H2,1-5H3/t12-,13-,15+,16+,19+,20-,21+,22+,23+,24+,25+,26-,28+,30-,31+,32-/m0/s1

InChIKey

InChIKey=QDQJWSSPAMZRIA-TUHDNREHSA-N

SMILES

C(OC)(=O)[C@]12[C@]3([C@]4([C@@]([C@]5(C)[C@@](C[C@]4(OC(=O)[C@@H]3OC(CC(C)C)=O)[H])([C@H](C)C(=O)C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)=C5)[H])([C@@H](O)[C@@H]1O)[H])CO2)[H]

Canonical SMILES

O=C(OC1C(=O)OC2CC3C(C(=O)C(OC4OC(CO)C(O)C(O)C4O)=CC3(C)C5C(O)C(O)C6(OCC25C16)C(=O)OC)C)CC(C)C

Other Names for this Substance

  • Picras-1-en-21-oic acid, 13,20-epoxy-2-(β-D-glucopyranosyloxy)-11,12-dihydroxy-15-(3-methyl-1-oxobutoxy)-3,16-dioxo-, methyl ester, (11β,12α,15β)-
  • 2H-3,11c-(Epoxymethano)phenanthro[10,1-bc]pyran, picras-1-en-21-oic acid deriv.
  • Yadanzioside A