Holacanthone
CAS Registry Number®
84062-60-2
No image available.
CAS Name
HolacanthoneMolecular Formula
C22H28O9Molecular Mass
436.45Cite this Page
Holacanthone. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=84062-60-2 (retrieved ) (CAS RN: 84062-60-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C22H28O9/c1-8-5-12(24)17(26)20(4)11(8)6-13-21-7-29-22(28,19(20)21)16(25)9(2)14(21)15(18(27)31-13)30-10(3)23/h5,9,11,13-17,19,25-26,28H,6-7H2,1-4H3/t9-,11+,13-,14-,15-,16-,17-,19-,20-,21+,22+/m1/s1
InChIKey
InChIKey=OFHVBIQKCNMHKC-FJSLBGAUSA-N
SMILES
C[C@@]12[C@@]3([C@]45[C@@]([C@@H](OC(C)=O)C(=O)O[C@@]4(C[C@]1(C(C)=CC(=O)[C@H]2O)[H])[H])([C@@H](C)[C@@H](O)[C@]3(O)OC5)[H])[H]
Canonical SMILES
O=C(OC1C(=O)OC2CC3C(=CC(=O)C(O)C3(C)C4C5(O)OCC24C1C(C)C5O)C)C
Other Names for this Substance
- Picras-3-ene-2,16-dione, 15-(acetyloxy)-11,20-epoxy-1,11,12-trihydroxy-, (1β,11β,12α,15β)-
- 2H-1,11c-(Epoxymethano)phenanthro[10,1-bc]pyran, picras-3-ene-2,16-dione deriv.
- (1β,11β,12α,15β)-15-(Acetyloxy)-11,20-epoxy-1,11,12-trihydroxypicras-3-ene-2,16-dione
- Holacanthone
- NSC 126765
