Yadanzioside C

CAS Registry Number®

95258-16-5
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CAS Name

Yadanzioside C

Molecular Formula

C34H46O17

Molecular Mass

726.72

Cite this Page

Yadanzioside C.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=95258-16-5 (retrieved 2024-09-09) (CAS RN: 95258-16-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H46O17/c1-12(31(3,4)45)7-18(36)51-24-26-33-11-47-34(26,30(44)46-6)27(42)23(41)25(33)32(5)9-15(19(37)13(2)14(32)8-17(33)50-28(24)43)48-29-22(40)21(39)20(38)16(10-35)49-29/h7,9,13-14,16-17,20-27,29,35,38-42,45H,8,10-11H2,1-6H3/b12-7+/t13-,14-,16+,17+,20+,21-,22+,23+,24+,25+,26+,27-,29+,32-,33+,34-/m0/s1

InChIKey

InChIKey=HOEZNQMKHRGGTI-ZJNUUKDLSA-N

SMILES

C(OC)(=O)[C@]12[C@]3([C@]4([C@@]([C@]5(C)[C@@](C[C@]4(OC(=O)[C@@H]3OC(/C=C(/C(C)(C)O)\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)C=C(C)C(O)(C)C

Other Names for this Substance

  • Picras-1-en-21-oic acid, 13,20-epoxy-2-(β-D-glucopyranosyloxy)-11,12-dihydroxy-15-[(4-hydroxy-3,4-dimethyl-1-oxo-2-pentenyl)oxy]-3,16-dioxo-, methyl ester, [11β,12α,15β(E)]-
  • 2H-3,11c-(Epoxymethano)phenanthro[10,1-bc]pyran, picras-1-en-21-oic acid deriv.
  • Yadanzioside C