Picras-2-en-21-oic acid, 15-[[(2E)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-2,11,12-trihydroxy-1,16-dioxo-, methyl ester, (11β,12α,15β)-

CAS Registry Number®

101910-72-9

CAS Name

Picras-2-en-21-oic acid, 15-[[(2E)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-2,11,12-trihydroxy-1,16-dioxo-, methyl ester, (11β,12α,15β)-

Molecular Formula

C28H36O11

Molecular Mass

548.58

Cite this Page

Picras-2-en-21-oic acid, 15-[[(2E)-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-2,11,12-trihydroxy-1,16-dioxo-, methyl ester, (11β,12α,15β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=101910-72-9 (retrieved 2024-11-27) (CAS RN: 101910-72-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H36O11/c1-11(2)12(3)8-17(30)39-19-21-27-10-37-28(21,25(35)36-6)23(33)18(31)20(27)26(5)14(9-16(27)38-24(19)34)13(4)7-15(29)22(26)32/h7-8,11,13-14,16,18-21,23,29,31,33H,9-10H2,1-6H3/b12-8+/t13-,14+,16-,18-,19-,20-,21-,23+,26+,27-,28+/m1/s1

InChIKey

InChIKey=PCKQDAAUYVCTJJ-XYGKKIDYSA-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)\C)=O)[H])([C@H](C)C=C(O)C5=O)[H])([C@@H](O)[C@@H]1O)[H])CO2)[H]

Canonical SMILES

O=C(OC1C(=O)OC2CC3C(C=C(O)C(=O)C3(C)C4C(O)C(O)C5(OCC24C15)C(=O)OC)C)C=C(C)C(C)C

Other Names for this Substance

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

Deleted or Replaced CAS Registry Numbers

106685-03-4

CAS INSIGHTSTM
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