Isobrucein B

CAS Registry Number®

53663-03-9

CAS Name

Isobrucein B

Molecular Formula

C23H28O11

Molecular Mass

480.46

Cite this Page

Isobrucein B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53663-03-9 (retrieved 2025-03-05) (CAS RN: 53663-03-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H28O11/c1-8-5-11(25)17(27)21(3)10(8)6-12-22-7-32-23(20(30)31-4,18(28)13(26)15(21)22)16(22)14(19(29)34-12)33-9(2)24/h5,10,12-18,26-28H,6-7H2,1-4H3/t10-,12+,13+,14+,15+,16+,17+,18-,21-,22+,23-/m0/s1

InChIKey

InChIKey=WAYNIXHIORQRDI-RWLFMTGCSA-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)=O)[H])(C(C)=CC(=O)[C@H]5O)[H])([C@@H](O)[C@@H]1O)[H])CO2)[H]

Canonical SMILES

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

Other Names for this Substance

  • Picras-3-en-21-oic acid, 15-(acetyloxy)-13,20-epoxy-1,11,12-trihydroxy-2,16-dioxo-, methyl ester, (1β,11β,12α,15β)-
  • Isobruceine B
  • NSC 238181
  • Isobrucein B

CAS INSIGHTSTM
Solar power station and Coal Fired Power Station:Clean energy and coal energy