Methyl (11β,12α,15β)-15-(acetyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oate
CAS Registry Number®
25514-29-8
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CAS Name
Methyl (11β,12α,15β)-15-(acetyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oateMolecular Formula
C23H28O11Molecular Mass
480.46Cite this Page
Methyl (11β,12α,15β)-15-(acetyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=25514-29-8 (retrieved ) (CAS RN: 25514-29-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C23H28O11/c1-8-10-5-12-22-7-32-23(20(30)31-4,17(22)15(19(29)34-12)33-9(2)24)18(28)14(27)16(22)21(10,3)6-11(25)13(8)26/h10,12,14-18,26-28H,5-7H2,1-4H3/t10-,12+,14+,15+,16+,17+,18-,21-,22+,23-/m0/s1
InChIKey
InChIKey=YDWODLQEUPYKGJ-LZFWDZGBSA-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)=C(O)C(=O)C5)[H])([C@@H](O)[C@@H]1O)[H])CO2)[H]
Canonical SMILES
O=C(OC1C(=O)OC2CC3C(=C(O)C(=O)CC3(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-3,11,12-trihydroxy-2,16-dioxo-, methyl ester, (11β,12α,15β)-
- Methyl (11β,12α,15β)-15-(acetyloxy)-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxopicras-3-en-21-oate
- Bruceine B
- Brucein B
- NSC 132793