(11β,12α,15β)-13,20-Epoxy-3,11,12-trihydroxy-15-[[(2E)-4-hydroxy-3,4-dimethyl-1-oxo-2-penten-1-yl]oxy]-2,16-dioxopicras-3-en-21-oic acid

CAS Registry Number®

25514-30-1
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CAS Name

(11β,12α,15β)-13,20-Epoxy-3,11,12-trihydroxy-15-[[(2E)-4-hydroxy-3,4-dimethyl-1-oxo-2-penten-1-yl]oxy]-2,16-dioxopicras-3-en-21-oic acid

Molecular Formula

C28H36O12

Molecular Mass

564.58

Cite this Page

(11β,12α,15β)-13,20-Epoxy-3,11,12-trihydroxy-15-[[(2E)-4-hydroxy-3,4-dimethyl-1-oxo-2-penten-1-yl]oxy]-2,16-dioxopicras-3-en-21-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=25514-30-1 (retrieved 2024-09-08) (CAS RN: 25514-30-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H36O12/c1-11(25(3,4)36)7-16(30)40-19-21-27-10-38-28(21,24(35)37-6)22(33)18(32)20(27)26(5)9-14(29)17(31)12(2)13(26)8-15(27)39-23(19)34/h7,13,15,18-22,31-33,36H,8-10H2,1-6H3/b11-7+/t13-,15+,18+,19+,20+,21+,22-,26-,27+,28-/m0/s1

InChIKey

InChIKey=KCVFVYXSNLKEHU-UIJGDLPGSA-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(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=C(C)C(O)(C)C

Other Names for this Substance

  • Picras-3-en-21-oic acid, 13,20-epoxy-3,11,12-trihydroxy-15-[[(2E)-4-hydroxy-3,4-dimethyl-1-oxo-2-penten-1-yl]oxy]-2,16-dioxo-, (11β,12α,15β)-
  • 2H-3,11cβ-(Epoxymethano)phenanthro[10,1-bc]pyran-3α(1H)-carboxylic acid, 3a,4,5,6aβ,7,7aα,10,11,11a,11bα-decahydro-1β,2α,4β,9-tetrahydroxy-8,11aβ-dimethyl-5,10-dioxo-, methyl ester, 4-(4-hydroxy-3,4-dimethyl-2-pentenoate)
  • Picras-3-en-21-oic acid, 13,20-epoxy-3,11,12-trihydroxy-15-[(4-hydroxy-3,4-dimethyl-1-oxo-2-pentenyl)oxy]-2,16-dioxo-, methyl ester, [11β,12α,15β(E)]-
  • Picras-3-en-21-oic acid, 13,20-epoxy-3,11,12-trihydroxy-15-[[(2E)-4-hydroxy-3,4-dimethyl-1-oxo-2-pentenyl]oxy]-2,16-dioxo-, methyl ester, (11β,12α,15β)-
  • (11β,12α,15β)-13,20-Epoxy-3,11,12-trihydroxy-15-[[(2E)-4-hydroxy-3,4-dimethyl-1-oxo-2-penten-1-yl]oxy]-2,16-dioxopicras-3-en-21-oic acid

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