Picras-3-en-21-oic acid, 13,20-epoxy-1,11,12-trihydroxy-15-(3-methyl-1-oxobutoxy)-2,16-dioxo-, methyl ester, (1β,11β,12α,15β)-

CAS Registry Number®

57629-50-2

CAS Name

Picras-3-en-21-oic acid, 13,20-epoxy-1,11,12-trihydroxy-15-(3-methyl-1-oxobutoxy)-2,16-dioxo-, methyl ester, (1β,11β,12α,15β)-

Molecular Formula

C26H34O11

Molecular Mass

522.54

Cite this Page

Picras-3-en-21-oic acid, 13,20-epoxy-1,11,12-trihydroxy-15-(3-methyl-1-oxobutoxy)-2,16-dioxo-, methyl ester, (1β,11β,12α,15β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=57629-50-2 (retrieved 2024-11-12) (CAS RN: 57629-50-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H34O11/c1-10(2)6-15(28)37-17-19-25-9-35-26(19,23(33)34-5)21(31)16(29)18(25)24(4)12(8-14(25)36-22(17)32)11(3)7-13(27)20(24)30/h7,10,12,14,16-21,29-31H,6,8-9H2,1-5H3/t12-,14+,16+,17+,18+,19+,20+,21-,24-,25+,26-/m0/s1

InChIKey

InChIKey=NTBOLWMPXFGUHO-FTSLJJEMSA-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(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)CC(C)C

Other Names for this Substance

  • Picras-3-en-21-oic acid, 13,20-epoxy-1,11,12-trihydroxy-15-(3-methyl-1-oxobutoxy)-2,16-dioxo-, methyl ester, (1β,11β,12α,15β)-
  • 2H-3,11c-(Epoxymethano)phenanthro[10,1-bc]pyran, picras-3-en-21-oic acid deriv.
  • Isobruceine A
  • NSC 279503
  • Isobrucein A

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles