(+)-Simalikalactone D

CAS Registry Number®

35321-80-3
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CAS Name

(+)-Simalikalactone D

Molecular Formula

C25H34O9

Molecular Mass

478.53

Cite this Page

(+)-Simalikalactone D.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=35321-80-3 (retrieved 2024-05-18) (CAS RN: 35321-80-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H34O9/c1-6-10(2)21(30)34-16-18-24(5)20(29)15(27)17-23(4)12(11(3)7-13(26)19(23)28)8-14(33-22(16)31)25(17,18)9-32-24/h7,10,12,14-20,27-29H,6,8-9H2,1-5H3/t10-,12+,14-,15-,16-,17-,18+,19-,20+,23+,24+,25-/m1/s1

InChIKey

InChIKey=OKIKYYZNNZCZRX-UWGUCYGSSA-N

SMILES

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

Canonical SMILES

O=C1OC2CC3C(=CC(=O)C(O)C3(C)C4C(O)C(O)C5(OCC24C5C1OC(=O)C(C)CC)C)C

Other Names for this Substance

  • Picras-3-ene-2,16-dione, 13,20-epoxy-1,11,12-trihydroxy-15-[(2R)-2-methyl-1-oxobutoxy]-, (1β,11β,12α,15β)-
  • Picras-3-ene-2,16-dione, 13,20-epoxy-1,11,12-trihydroxy-15-(2-methyl-1-oxobutoxy)-, [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)-13,20-Epoxy-1,11,12-trihydroxy-15-[(2R)-2-methyl-1-oxobutoxy]picras-3-ene-2,16-dione
  • Simalikalactone D

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