Quassimarin

CAS Registry Number®

59938-97-5
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CAS Name

Quassimarin

Molecular Formula

C27H36O11

Molecular Mass

536.57

Cite this Page

Quassimarin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=59938-97-5 (retrieved 2024-09-19) (CAS RN: 59938-97-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H36O11/c1-7-24(4,38-12(3)28)23(34)37-17-19-26(6)21(32)16(30)18-25(5)13(11(2)8-14(29)20(25)31)9-15(36-22(17)33)27(18,19)10-35-26/h8,13,15-21,30-32H,7,9-10H2,1-6H3/t13-,15+,16+,17+,18+,19-,20+,21-,24+,25-,26-,27+/m0/s1

InChIKey

InChIKey=FXMIXHYJCNZLFE-ACBKHETBSA-N

SMILES

C[C@]12[C@]3([C@]4([C@@]([C@]5(C)[C@@](C[C@]4(OC(=O)[C@@H]3OC([C@](OC(C)=O)(CC)C)=O)[H])(C(C)=CC(=O)[C@H]5O)[H])([C@@H](O)[C@@H]1O)[H])CO2)[H]

Canonical SMILES

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

Other Names for this Substance

  • Picras-3-ene-2,16-dione, 15-[(2R)-2-(acetyloxy)-2-methyl-1-oxobutoxy]-13,20-epoxy-1,11,12-trihydroxy-, (1β,11β,12α,15β)-
  • Picras-3-ene-2,16-dione, 15-[2-(acetyloxy)-2-methyl-1-oxobutoxy]-13,20-epoxy-1,11,12-trihydroxy-, [1β,11β,12α,15β(R)]-
  • 2H-3,11c-(Epoxymethano)phenanthro[10,1-bc]pyran, picras-3-ene-2,16-dione deriv.
  • (1β,11β,12α,15β)-15-[(2R)-2-(Acetyloxy)-2-methyl-1-oxobutoxy]-13,20-epoxy-1,11,12-trihydroxypicras-3-ene-2,16-dione
  • Quassimarin

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